{"id":171,"date":"2022-07-11T10:50:41","date_gmt":"2022-07-11T14:50:41","guid":{"rendered":"https:\/\/sciences.ucf.edu\/physics\/rahman-group\/?page_id=171"},"modified":"2024-05-02T12:05:53","modified_gmt":"2024-05-02T16:05:53","slug":"list-publications","status":"publish","type":"page","link":"https:\/\/sciences.ucf.edu\/physics\/rahman-group\/list-publications\/","title":{"rendered":"List of Publications"},"content":{"rendered":"\n

Submitted Manuscripts<\/strong><\/p>\n\n\n\n

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  1. K. Shi, D. Le, T. Panagiotakopoulos, T. S. Rahman<\/strong>, and X. Feng, \u201cEffect of Asymmetric Cations on CO2 Electroreduction,\u201d submitted.<\/li>\n\n\n\n
  2. T. Jiang, D. Le, K. L. Chagoya, D. J. Nash, R. G. Blair, and T. S. Rahman<\/strong>, \u201cCatalytic Reduction of Carbon Dioxide to Methanol over Defect-Laden Hexagonal Boron Nitride: insights into mechanisms,\u201d submitted.<\/li>\n\n\n\n
  3. S. R. Acharya, C. H. Mullet, J.A. Giacomo, D. Le, S. Chiang, and T. S. Rahman<\/strong>, \u201cSub-monolayer structures of Ag over layers on Ge (111): experimental observations and first-principles study\u201d (https:\/\/doi.org\/10.48550\/arXiv.1908.00180<\/a>, under review Phys. Rev. B).<\/li>\n\n\n\n
  4. S. R. Acharya and T. S. Rahman<\/strong>, \u201cPrediction of activation energy barriers of island diffusion processes using data-driven approaches.\u201d (https:\/\/doi.org\/10.48550\/arXiv.1902.10282<\/a>, under review Phys. Rev. B)<\/li>\n<\/ol>\n\n\n\n

    Published<\/strong><\/p>\n\n\n\n

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    1. C. Schunke, P. Schweer, E. Engelage, D. Austin, E. D. Switzer, T. S. Rahman<\/strong>, K. Morgenstern, “Increased Selectivity in Photolytic Activation of Nanoassemblies Compared to Thermal Activation in On-Surface Ullmann Coupling.” ACS Nano (2024). https:\/\/doi.org\/10.1021\/acsnano.3c11509<\/a><\/li>\n\n\n\n
    2. T. Jiang, Y. Li, Y. Tang, S. Zhang, D. Le, T. S. Rahman<\/strong>, F. Tao, “Breaking Continuously Packed Bimetallic Sites to Singly Dispersed on Nonmetallic Support for Efficient Hydrogen Production.” ACS Appl. Mater. Interfaces, 16, 21757 (2024). https:\/\/doi.org\/10.1021\/acsami.3c18160<\/a><\/li>\n\n\n\n
    3. Y. Yu, V. Turkowski, J. A. Hachtel, A. A. Puretzky, A. V. Ievlev, N. U. Din, S. B. Harris, V. Iyer, C. M. Rouleau, T. S. Rahman<\/strong>, D. B. Geohegan, K. Xiao, “Anomalous isotope effect on the optical bandgap in a monolayer transition metal dichalcogenide semiconductor.” Sci. Adv. 10, eadj0758 (2024). https:\/\/doi.org\/10.1126\/sciadv.adj0758<\/a><\/li>\n\n\n\n
    4. E. D. Switzer, X.-G. Zhang, V. Turkowski, T. S. Rahman<\/strong>, “Mapping spin interactions from conductance peak splitting in Coulomb blockade.” Phys. Rev. B. 108, 174438 (2023). https:\/\/doi.org\/10.1103\/PhysRevB.108.174438<\/a><\/li>\n\n\n\n
    5. M. Alc\u00e1ntara Ortigoza, T. S. Rahman<\/strong>, “A closer look at how symmetry constraints and the spin\u2013orbit coupling shape the electronic structure of Bi (111).” J. Phys.: Condens. Matter 36, 015503 (2023). https:\/\/doi.org\/10.1088\/1361-648x\/acfb67<\/a><\/li>\n\n\n\n
    6. E. Mishra, T. K. Ekanayaka, T. Panagiotakopoulos, D. Le, T. S. Rahman<\/strong>, P. Wang, K. A. McElveen, J. P. Phillips, M. Z. Zaz, S. Yazdani, A. T. N\u2019Diaye, R. Y. Lai, R. Streubel, R. Cheng, M. Shatruk and P. A. Dowben \u201cElectronic structure of cobalt valence tautomeric molecules in different environments.\u201d Nanoscale 15, 2044-2053 (2023). https:\/\/doi.org\/10.1039\/d2nr06834f<\/a><\/li>\n\n\n\n
    7. J. Shi, D. Le, V. Turkowski, N. U. Din, T. Jiang, Q. Gu, T. S. Rahman<\/strong>, “Thickness dependence of superconductivity in FeSe films.” Eur. Phys. J. Plus 138, 505 (2023). https:\/\/doi.org\/10.1140\/epjp\/s13360-023-04126-7<\/a><\/li>\n\n\n\n
    8. N. U. Din, D. Le, and T. S. Rahman<\/strong>, “Computational screening of chemically active metal center in coordinated dipyridyl tetrazine network,” Jour. Phys.: Condensed Matter, 35, 154001 (2023). https:\/\/doi.org\/10.1088\/1361-648X\/acb8f3<\/a><\/li>\n\n\n\n
    9. T. Ekanayaka, T. Jiang, E. Delahaye, O. Perez, J-P Sutter, D. Le, A. T. N’Diaye, R. Streubel, T. S. Rahman<\/strong>, P. A. Dowben, \u201cEvidence of Symmetry Breaking in a Gd2<\/sub> di-nuclear molecular polymer.\u201d Phys. Chem. Chem Phys (2023). https:\/\/doi.org\/10.1039\/D2CP03050K<\/a><\/li>\n\n\n\n
    10. J. Shi, V. Turkowski, and T. S. Rahman<\/strong>, \u201cDark exciton energy splitting in monolayer WSe2: insights from time-dependent density functional theory.\u201d Phys. Rev B 107, 155431 (2023). https:\/\/doi.org\/10.1103\/PhysRevB.107.155431<\/a><\/li>\n\n\n\n
    11. J. Koptur-Palenchar, M. Gakiya-Teruya, D. Le, J. Jiang, R. Zhang, X. Jiang, H-P Cheng, T. S. Rahman<\/strong>, M. Shatruk and X-X Zhang, \u201cThickness-dependent spin bistable transitions in single crystalline molecular 2D material.\u201d npj 2D Materials and Applications 6, 59 (2022). https:\/\/doi.org\/10.1038\/s41699-022-00335-3<\/a><\/li>\n\n\n\n
    12. G. Pacchioni and T. S. Rahman<\/strong>, \u201cDefect engineering of oxide surfaces: dream or reality? A perspective.” J. Phys.: Condens. Matter 34 291501 (2022) (19 May 2022) https:\/\/doi.org\/10.1088\/1361-648X\/ac6c6d<\/a><\/li>\n\n\n\n
    13. S. Schofield, A. Teplyakov and T. S. Rahman<\/strong>, \u201cAtomic and molecular functionalisation of technological materials: an introduction to Nanoscale Processes on Semiconductor Surfaces.\u201d J. Phys.: Condens. Matter 34, 210401 (2022); https:\/\/doi.org\/10.1088\/1361-648X\/ac5a24<\/a><\/li>\n\n\n\n
    14. M. E. Vaida, T. B. Rawal, T. M. Bernhardt, B. M. Marsh, T. S. Rahman<\/strong>, Stephen R. Leone, \u201cNon-metal to metal transition of magnesia supported Au clusters and their effect on the ultrafast dissociation dynamics of adsorbed CH3Br molecules.\u201d J. Phys. Chem. Lett. 13, 4747 (2022); https:\/\/doi.org\/10.1021\/acs.jpclett.2c00968<\/a><\/li>\n\n\n\n
    15. B. T. Blue, S. D. Lough, D. Le, Jesse E. Thompson, T. S. Rahman<\/strong>, R. Sankar, M. Ishigami, \u201cScanning tunnelling microscopy and spectroscopy of NiTe2,\u201d Surface Science 722, 122099 (2022); https:\/\/doi.org\/10.1016\/j.susc.2022.122099<\/a><\/li>\n\n\n\n
    16. V. Turkowski and T. S. Rahman<\/strong>, \u201cNonadiabatic exchange-correlation potential for strongly correlated materials in the weak- and strong-interaction limits,\u201d Computation 10, 77 (2022); https:\/\/doi.org\/10.3390\/computation10050077<\/a><\/li>\n\n\n\n
    17. E. Wasim, N. Ud Din, D. Le, X. Zhou, M. S. Pape, G. E. Sterbinsky, T. S. Rahman<\/strong>, S. L. Tait, \u201cLigand-Coordination Effects on the Selective Hydrogenation of Acetylene in Single-site Pd-Ligand Supported Catalysts,\u201d J. Catalysis 413, 81 (2022); https:\/\/doi.org\/10.1016\/j.jcat.2022.06.010<\/a><\/li>\n\n\n\n
    18. E. D. Switzer, X-G Zhang, T. S. Rahman<\/strong>, \u201cElectronic control and switching of entangled spin state using anisotropy and exchange in the three-particle paradigm,\u201d J. Phys. Commun. 6, 075007 (2022). https:\/\/doi.org\/10.1088\/2399-6528\/ac7e1d<\/a><\/li>\n\n\n\n
    19. N. Nayyar, D. Le, V. Turkowski and T. S. Rahman<\/strong>, \u201cElectron-phonon interaction and ultrafast photoemission from doped monolayer MoS2<\/sub>,\u201d Physical Chemistry Chemical Physics, 24, 25298 (2022); https:\/\/doi.org\/10.1039\/D2CP02905G<\/a><\/li>\n\n\n\n
    20. W. Tan, S. Xie, D. Le, W. Diao, M. Wang, K.-B. Low, D. Austin, S. Hong, F. Gao, L. Dong, L. Ma, S. Ehrlich, T. S. Rahman<\/strong>, and F. Liu, “Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity” Nat Commun.<\/em> 13<\/strong>, 7070 (2022). https:\/\/doi.org\/10.1038\/s41467-022-34797-2<\/a><\/li>\n\n\n\n
    21. D. Le and T. S. Rahman<\/strong>, \u201cOn the role of metal cations in CO2 electroreduction,\u201d Nature Catalysis 5, 977 (2022) https:\/\/doi.org\/10.1038\/s41929-022-00876-2<\/a><\/li>\n\n\n\n
    22. A. Dhingra, X. Hu, M. F. Borunda, J. F. Johnson, C. Binek, J. Bird, A. T. N\u2019Diaye, J-P Sutter, E. Delahaye, E. D. Switzer, E. del Barco, T. S. Rahman<\/strong> and P. A. Dowben, \u201cMolecular transistors as substitutes for quantum information applications,\u201d J. Phys.: Condens. Matter 34, 441501 (2022); https:\/\/doi.org\/10.1088\/1361-648X\/ac8c11<\/a><\/li>\n\n\n\n
    23. E. D. Switzer, X-G. Zhang, and T. S. Rahman<\/strong>, \u201cAnisotropy-exchange resonance as a mechanism for entangled state switching, Phys. Rev. A 104, 052434 (2021); https:\/\/doi.org\/10.1103\/PhysRevA.104.052434<\/a><\/li>\n\n\n\n
    24. M. Gakiya-Teruya, X. Jiang, D. Le, \u00d6. \u00dcng\u00f6r, A. J. Durrani, J. Koptur-Palenchar, J. Jiang, T. Jiang, M. W. Meisel, H-P. Cheng, X-G. Zhang, X-X. Zhang, T. S. Rahman<\/strong>, A. F. Hebard, M. Shatruk, \u201cAsymmetric Design of Spin-Crossover Complexes to Increase the Volatility for Surface Deposition,\u201d J. Am. Chem. Soc. (JACS) 143, 14563 (2021). https:\/\/doi.org\/10.1021\/jacs.1c04598<\/a><\/li>\n\n\n\n
    25. D. Le, T. Jiang, M. Gakiya-Teruya, M. Shatruk, and T. S. Rahman,<\/strong> \u201cOn stabilizing spin crossover molecule [Fe(tBu2qsal)2] on suitable supports: insights from ab initio studies,\u201d J. Phys.: Condens. Matter 33 (2021) 385201; https:\/\/doi.org\/10.1088\/1361-648X\/ac0beb<\/a><\/li>\n\n\n\n
    26. K. K\u00fcster, Z. Hooshmand, D. P. Rosenblatt, S. Koslowski, D. Le, U. Starke, T. S. Rahman<\/strong>, K. Kern, U. Schlickum, \u201cGrowth of Graphene Nanoflakes\/ h-BN Heterostructures, Adv. Mater. Interfaces, 2100766 (2021). https:\/\/doi.org\/10.1002\/admi.202100766<\/a><\/li>\n\n\n\n
    27. N. S. Vorobeva, A. Lipatov, A.Torres, J. Dai, J. Abourahma, D. Le, A. Dhingra, S. J. Gilbert, P. V. Galiy, T. M. Nenchuk, D. S. Muratov, T. S. Rahman<\/strong>, X. C. Zeng, P. A. Dowben, and A. Sinitskii, \u201cAnisotropic Properties of Quasi-1D In4Se3: Mechanical Exfoliation, Electronic Transport, and Polarization-Dependent Photoresponse,\u201d Adv. Funct. Mater., 2106459 (2021). https:\/\/doi.org\/10.1002\/adfm.202106459<\/a><\/li>\n\n\n\n
    28. N. U. Din, V. Turkowski and T. S Rahman<\/strong>, \u201cUltrafast charge dynamics and photoluminescence in bilayer MoS2<\/sub>,\u201d 2D Materials 8, 025018 (2021); https:\/\/doi.org\/10.1088\/2053-1583\/abd6b5<\/a><\/li>\n\n\n\n
    29. T.W. Morris, D. L. Wisman, N. U. Din, Duy Le, T. S. Rahman<\/strong>, S. L Tait, \u201cTailoring the Redox Capabilities of Organic Ligands for Metal-Ligand Coordination with Vanadium Single-Sites,\u201d Surface Science 712, 121888 (2021). .https:\/\/doi.org\/10.1016\/j.susc.2021.121888<\/a><\/li>\n\n\n\n
    30. T. Jiang, D. Le, T. B. Rawal and T. S. Rahman<\/strong>, \u201cSyngas molecules as probes for defects in 2D hexagonal boron nitride: their adsorption and vibrations,\u201d Phys. Chem. Chem. Phys. 23, 7988 (2021); https:\/\/doi.org\/10.1039\/d0cp05943a<\/a><\/li>\n\n\n\n
    31. N. Ud Din, V. Turkowski, and T. S. Rahman<\/strong>, \u201cExcited states in hydrogenated single-layer MoS2<\/sub>,\u201d J. Phys.: Condens. Matter 33, 075201 (2021); https:\/\/doi.org\/10.1088\/1361-648x\/abc971<\/a><\/li>\n\n\n\n
    32. K. Chagoya, D. Nash, T. Jiang, D. Le, S. Alayoglu, K. Idrees, X. Zhang, O. Farha, J. Harper, T. S. Rahman<\/strong>, R. G. Blair, \u201cMechanically Enhanced Catalytic Reduction of Carbon Dioxide over Defect Hexagonal Boron Nitride,” ACS Sustainable Chemistry & Engineering 9, 2447\u22122455 (2021); https:\/\/dx.doi.org\/10.1021\/acssuschemeng.0c06172<\/a><\/li>\n\n\n\n
    33. H-T. Chang, A. Guggenmos, S. K. Cushing, T. S. Rahman<\/strong> et al., \u201cElectron thermalization and relaxation in laser-heated nickel by few-femtosecond core-level transient absorption spectroscopy,\u201d Phys Rev B 103, 064305 (2021); https:\/\/dx.doi.org\/10.1103\/PhysRevB.103.064305<\/a> (The above work was highlighted in APS Physics and in the March 4, 2021 issue of Nature, https:\/\/www.nature.com\/articles\/d41586-021-00434-z<\/a>).<\/li>\n\n\n\n
    34. K.A.M. H. Siddiquee, R. Munir, C. Dissanayake, X. Hu, S. Yadav, Y. Takano, E. S. Choi, D. Le, T. S. Rahman<\/strong>, Y. Nakajima, “Fermi surfaces of the topological semimetal CaSn3<\/sub> probed through de Haas van Alphen oscillations,” J. Phys.: Condens. Matter 33, 17LT01 (2021) https:\/\/dx.doi.org\/10.1088\/1361-648x\/abe0e2<\/a><\/li>\n\n\n\n
    35. T. B. Rawal, D. Le, Z. Hooshmand, and T. S. Rahman<\/strong>, \u201cToward alcohol synthesis from CO hydrogenation on Cu(111)-supported MoS2<\/sub> \u2013 predictions from DFT+KMC,\u201d J. Chem. Phys. 154, 174701 (2021); https:\/\/doi.org\/10.1063\/5.0047835<\/a><\/li>\n\n\n\n
    36. A. Brooks, T. Jiang, S. Liu, D. Le, T. S. Rahman<\/strong>, H-P. Cheng, and X-G. Zhang, \u201cModelling carrier mobility in graphene as a sensitive probe of molecular magnets,\u201d Phys. Rev. B 103, 245423 (2021). https:\/\/doi.org\/10.1103\/PhysRevB.103.245423<\/a><\/li>\n\n\n\n
    37. T. S. Rahman<\/strong>, \u201cSurface Thermodynamics and Vibrational Entropy,\u201d in Springer Handbook of Surface Science, Eds: M. Rocca, T. S. Rahman<\/strong>, and L. Vattuone; page 71; https:\/\/dx.doi.org\/10.1007\/978-3-030-46906-1<\/a><\/li>\n\n\n\n
    38. Springer Handbook of Surface Science, Editors: Mario Rocca, Talat S. Rahman<\/strong>, Luca Vattuone (Eds.), Springer International Publishing, 2021; e-book: ISBN 978-3-030-46906-1; Hardcover ISBN 978-3-030-46904-7; https:\/\/dx.doi.org\/10.1007\/978-3-030-46906-1<\/a><\/li>\n\n\n\n
    39. K. Almeida, K. Chagoya, A. Felix, T. Jiang, D. Le, T. B. Rawal, P. E. Evans, M. Wurch, K. Yamaguchi, P. A. Dowben, L. Bartels, T. S. Rahman<\/strong>, R. G. Blair, \u201cTowards Higher Alcohol Formation using a single-layer MoS2<\/sub> activated Au on Silica: Methanol Carbonylation to Acetaldehyde,\u201d J Phys Condens Matter 34<\/strong>, (2021). https:\/\/doi.org\/10.1088\/1361-648X\/ac40ad<\/a><\/li>\n\n\n\n
    40. R. S. Berkley, Z. Hooshmand, T. Jiang, D. Le, A. F. Hebard, and T. S. Rahman<\/strong>, \u201cCharacteristics of single-molecule magnet dimers ([Mn3<\/sub>]2<\/sub>) on graphene and h\u2011BN,\u201d J. Phys. Chem. C124, 28186 (2020) https:\/\/dx.doi.org\/10.1021\/acs.jpcc.0c08420<\/a><\/li>\n\n\n\n
    41. J. Alberdi-Rodriguez, S. R, Acharya, T. S. Rahman<\/strong>, A. Arnau, and M. A. Gosalvez, \u201cDominant contributions to the apparent activation energy in two dimensional submonolayer growth: Comparison between Cu\/Ni(111) and Ni\/Cu(111),\u201d J. Phys. Condens. Matter 32, 445002 (2020). https:\/\/doi.org\/10.1088\/1361-648X\/ab9b50<\/a><\/li>\n\n\n\n
    42. Prescott E. Evans, Zahra Hooshmand, Talat S. Rahman<\/strong>, and Peter A. Dowben, \u201cThe Importance of Frontier Orbital Symmetry in the Adsorption of Diiodobenzene on MoS2<\/sub>(0001),\u201d Surface Science 702 (2020) 121708. https:\/\/doi.org\/10.1016\/j.susc.2020.121708<\/a><\/li>\n\n\n\n
    43. J. M. Galicia Hernandez, V. Turkowski, G. Hernandez-Cocoletzi, and T. S. Rahman<\/strong>, \u201cElectron correlations and memory effects in ultrafast electron and hole dynamics in VO2<\/sub>, J Phys Condens Matter. (letter) 32, 20LT01 (2020). https:\/\/doi.org\/10.1088\/1361-648X\/ab6f85<\/li>\n\n\n\n
    44. K.M. Conley, N. Nayyar, T.P. Rossi, M. Kuisma, V. Turkowski, M.J. Puska, and T. S. Rahman<\/strong>, \u201cPlasmon excitations in chemically heterogeneous nanoarrays,\u201d Phys. Rev. B 101, 235132 (2020). https:\/\/doi.org\/10.1103\/PhysRevB.101.235132<\/a><\/li>\n\n\n\n
    45. Y. Tang, S. Zhang, T. Rawal, L. Nguyen, Y. Iwasawa, J. Liu, S. Hong, T. S.  Rahman<\/strong>, and F. Tao, \u201cAtomic-scale structure and catalysis on positively charged bimetallic sites for generation of H2<\/sub>” Nano Letters 20, 6255 (2020). https:\/\/doi.org\/10.1021\/acs.nanolett.0c00852<\/a> <\/li>\n\n\n\n
    46. S. R. Acharya, V. Turkowski, G-p Zhang, and T. S. Rahman<\/strong>, \u201cUltrafast electron correlations and memory effects at work: femtosecond demagnetization in Ni,\u201d Phys. Rev. Lett. 125, 017202 (2020). https:\/\/doi.org\/10.1103\/PhysRevLett.125.017202<\/a><\/li>\n\n\n\n
    47. H. Kersell, Z. Hooshmand, G. Yan, D. Le, H. Nguyen, B. Eren, C.H. Wu, I. Waluyo, A. Hunt, S. Nem\u0161\u00e1k, G. Somorjai, T. S. Rahman<\/strong>, P. Sautet, and M. Salmeron, “CO Oxidation Mechanisms on CoOx<\/sub>-Pt Thin Films,” Journal of the American Chemical Society 142, 8312,(2020). https:\/\/doi.org\/10.1021\/jacs.0c01139<\/a><\/li>\n\n\n\n
    48. T. Jiang, D. Le and T. S. Rahman<\/strong>, \u201cMoS2<\/sub>-supported Au31<\/sub> for CO hydrogenation: A first-principle study, J. Vac. Sci. Technol. A 38<\/strong>, 032201 (2020). https:\/\/doi.org\/10.1116\/1.5142853<\/li>\n\n\n\n
    49. B.T. Blue, G.G. Jernigan, D. Le, J.J. Fonseca, S.D. Lough, J.E. Thompson, D.D. Smalley, T. S. Rahman<\/strong>, J.T. Robinson, and M. Ishigami, “Metallicity of 2H-MoS2<\/sub> induced by Au hybridization,” 2D Materials 7<\/strong>, 025021 (2020). https:\/\/doi.org\/10.1088\/2053-1583\/ab6d34<\/a>  <\/li>\n\n\n\n
    50. B.T. Young, M.A.K. Pathan, T. Jiang, D. Le, N. Marrow, T. Nguyen, C.E. Jordan, T. S. Rahman<\/strong>, D.M. Popolan-Vaida, and M.E. Vaida, “Catalytic C2<\/sub>H2<\/sub> synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS2<\/sub> and 2D-MoS2<\/sub> decorated with Mo clusters,” The Journal of Chemical Physics 152, 074706 (2020). https:\/\/doi.org\/10.1063\/1.5129712<\/a><\/li>\n\n\n\n
    51. S. Posysaev, O. Miroshnichenko, M. Alatalo, D. Le, and T. S. Rahman<\/strong>, “Oxidation states of binary oxides from data analytics of the electronic structure,” Computational Materials Science 161<\/strong>, 403-414 (2019). DOI:10.1016\/j.commatsci.2019.01.046<\/li>\n\n\n\n
    52. K.M. Conley, N. Nayyar, T.P. Rossi, M. Kuisma, V. Turkowski, M.J. Puska, and T. S. Rahman<\/strong>, “Plasmon Excitations in Mixed Metallic Nanoarrays,” ACS Nano 13, 5344 (2019). DOI: 10.1021\/acsnano.8b09826.<\/li>\n\n\n\n
    53. Z.N. Gao, D. Le, A. Khaniya, C.L. Dezelah, J. Woodruff, R.K. Kanjolia, W.E. Kaden, T. S. Rahman<\/strong>, and P. Banerjee, “Self-Catalyzed, Low-Temperature Atomic Layer Deposition of Ruthenium Metal Using Zero-Valent Ru(DMBD)(CO)(3<\/sub>) and Water,” Chemistry of Materials 31, 1304-1317 (2019). DOI:10.1021\/acs.chemmater.8b04456<\/li>\n\n\n\n
    54. T.W. Morris, I.J. Huerfano, M. Wang, D.L. Wisman, A.C. Cabelof, N.U. Din, C.D. Tempas, D. Le, A.V. Polezhaev, T. S. Rahman<\/strong>, K.G. Caulton, and S.L. Tait,”Multi-electron Reduction Capacity and Multiple Binding Pockets in Metal-Organic Redox Assembly at Surfaces,” Chemistry – A European Journal 25<\/strong>, 5565-5573 (2019). DOI:10.1002\/chem.201900002<\/li>\n\n\n\n
    55. M. ur Rehman, K. Erhart, J. Kielbasa, S. L Meeks, Z. Li, T. Willoughby, N. Ramakrishna, K. Stephenson, T. S Rahman<\/strong>, P. Kelly, O. Zeidan, \u201cAn optimized approach for robust spot placement in proton pencil beam scanning,\u201dPhys Med Biol. 64, 235016 (2019); DOI:10.1088\/1361-6560\/ab4e78<\/li>\n\n\n\n
    56. K. Almeida, P. Pena, T.B. Rawal, W.C. Coley, A.A. Akhavi, M. Wurch, K. Yamaguchi, D. Le, T. S. Rahman<\/strong>, and L. Bartels,”A Single Layer of MoS2<\/sub> Activates Gold for Room Temperature CO Oxidation on an Inert Silica Substrate,” Journal of Physical Chemistry C 123<\/strong>, 6592-6598 (2019). DOI:10.1021\/acs.jpcc.8b12325<\/li>\n\n\n\n
    57. R.P. Galhenage, H. Yan, T.B. Rawal, D. Le, A.J. Brandt, T.D. Maddumapatabandi, N. Nguyen, T. S. Rahman,<\/strong> and D.A. Chen,”MoS2<\/sub> Nanoclusters Grown on TiO2<\/sub> : Evidence for New Adsorption Sites at Edges and Sulfur Vacancies,” Journal of Physical Chemistry C 123<\/strong>, 7185-7201 (2019). DOI:10.1021\/acs.jpcc.9b00076<\/li>\n\n\n\n
    58. D.J. Nash, K.L. Chagoya, A. Felix, F.E. Torres-Davila, T. Jiang, D. Le, L. Tetard, T. S. Rahman<\/strong>, and R.G. Blair, “Analysis of the fluorescence of mechanically processed defect-laden hexagonal boron nitride and the role of oxygen in catalyst deactivation,” Advances in Applied Ceramics 118, 153-158 (2019). DOI:10.1080\/17436753.2019.1584482<\/li>\n\n\n\n
    59. G. Shafai, S. Hong, and T. S. Rahman<\/strong>, \u201cEffects of \u03b3-Al2O3 support on the morphology and electronic structure of Pt nanoparticles,\u201d J. Phys. Chem. C. 123, 16893 (2019). https:\/\/doi.org\/10.1021\/acs.jpcc.9b04770<\/a><\/li>\n\n\n\n
    60. T. B. Rawal, M. Smerieri, J. Pal, S. Hong, M. Alatalo, L. Savio, L. Vattuone, T. S. Rahman<\/strong>, and M. Rocca, “Deciphering complex features in STM images of O adatoms on Ag(110),”  Phys. Rev. B 98, 035405 (2018).<\/li>\n\n\n\n
    61. W. Keune, S. Hong, M. Y. Hu, J. Zhao, T. S. Toellner, E. E. Alp, W. Sturhahn, T. S. Rahman<\/strong>, B. Roldan Cuenya, \u201cInfluence of interfaces on the phonon density of states of nanoscale metallic multilayers: phonon confinement and localization.\u201d Phys. Rev. B 98, 024308 (2018).<\/li>\n\n\n\n
    62. K. Kuhnke, V.Turkowski, A. Kabakchiev, T. Lutz, T. S. Rahman<\/strong>, and K. Kern, \u201cProperties of pentacene excitons in strong electric fields,\u201d ChemPhysChem 19, 277 (2018).<\/li>\n\n\n\n
    63. S. R. Acharya and T. S. Rahman<\/strong>, \u201cTowards Multiscale Modeling of Thin Film Growth Processes using SLKMC,\u201dJ. Mat. Res. 33, 709 (2018).<\/li>\n\n\n\n
    64. C. D. Tempas, T.W. Morris, D. L. Wisman, N U. Din, D. Le, B. J. Cook, A. V. Polezhaev, T. S. Rahman<\/strong>, K. G. Caulton, and S. L. Tait, \u201cRedox-active Ligand Controlled Selectivity of Vanadium Oxidation on Au(100),\u201d Chem. Sci. 9, 1674 (2018).<\/li>\n\n\n\n
    65. C.S. Merida, D. Le, E.M. Echeverria, A.E. Nguyen, T.B. Rawal, S.N. Alvillar, V. Kandyba, A. Al-Mahboob, Y. Losovyj, K. Katsiev, M.D. Valentin, C.-Y. Huang, M.J. Gomez, I.-H. Lu, A. Guan, A. Barinov, T. S. Rahman,<\/strong> P.A. Dowben, and L. Bartels, “Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2,” J. Phys. Chem. C 122, 267 (2018). DOI: 10.1021\/acs.jpcc.7b07632<\/li>\n\n\n\n
    66. C.D. Tempas, D. Skomski, B.J. Cook, D. Le, K.A. Smith, T. S. Rahman<\/strong>, K.G. Caulton, and S.L. Tait, “Redox Isomeric Surface Structures Are Preferred over Odd-Electron Pt1+,” Chemistry A European Journal 24, 15852-15858 (2018). DOI:10.1002\/chem.201802943<\/li>\n\n\n\n
    67. P. E. Evans, H. K. Jeong, Z. Hooshmand, D. Le, T. B. Rawal, S. N. Alvillar, L. Bartels, T. S. Rahman<\/strong>, and P. A. Dowben, \u201cMethoxy Formation Induced Defects on MoS2,\u201d J. Phys. Chem. C 122, 10042 (2018). DOI: 10.1021\/acs.jpcc.8b02053<\/li>\n\n\n\n
    68. T. B. Rawal, S. R. Acharya, S. Hong, D. Le, Y. Tang, F. F. Tao, and T. S. Rahman<\/strong>, \u201cHigh Catalytic Activity of Pd1\/ZnO(101 \u03050) toward Methanol Partial Oxidation: A DFT+KMC study, ACS Catal. 8, 5553\u22125569 (2018). DOI: 10.1021\/acscatal.7b04504<\/li>\n\n\n\n
    69. S. R. Acharya, S. I. Shah, and T. S. Rahman<\/strong>, \u201cDiffusion of Small Cu Islands on the Ni(111)  Surface A self-learning kinetic Monte Carlo study,\u201d Surface Science, 662, 42 (2017). https:\/\/doi.org\/10.1016\/j.susc.2017.03.012<\/a><\/li>\n\n\n\n
    70. T. B. Rawal, D. Le, and T. S. Rahman<\/strong>, \u201cEffect of single-layer MoS2<\/sub> on the geometry, electronic structure, and reactivity of transition metal nanoparticles,\u201d J. Phys. Chem. C 121, 7282 (2017).<\/li>\n\n\n\n
    71. D. Le and T. S. Rahman<\/strong>, \u201cPt-Dipyridyl Tetrazine metal-organic network on the Au(100) surface: Insights from first principles calculations,\u201d Faraday Transactions 204, 83 (2017) DOI: 10.1039\/C7FD00097A.<\/li>\n\n\n\n
    72. S. Rauschenbach, G. Rinke, R. Gutzler, S. Abb, A. Albargash, D. Le, T. S. Rahman<\/strong>, M. Durr, L. Harnau, and K. Kern, “Two-Dimensional Folding of Polypeptides into Molecular Nanostructures,” ACS Nano 11, 2420 (2017).<\/li>\n\n\n\n
    73. A. Gupta, T. B. Rawal, C. J. Neal, S. Das, T. S. Rahman<\/strong>, and S. Seal, \u201cMolybdenum Disulfide for Ultra-Low Detection of Free Radicals: Electrochemical Response and Molecular Modeling,\u201d 2D Materials 4, 025077 (2017).<\/li>\n\n\n\n
    74. J. Pal, T. B. Rawal, M. Smerieri, S. Hong, M. Alatalo, L. Savio, L. Vattuone, T. S. Rahman<\/strong>, and M. Rocca, \u201cAdatom extraction off pristine terraces by dissociative oxygen adsorption at metal surfaces: Combined STM and DFT investigation of O\/Ag(110), \u201d Phys. Rev. Lett. 118, 226101 (2017).<\/li>\n\n\n\n
    75. Z. Hooshmand, D. Le, and T. S. Rahman<\/strong>, “CO Adsorption on Pd(111) at 0.5ML: A First Principles Study,” Surf. Sci. 655, 7-11 (2017).<\/li>\n\n\n\n
    76. T. Komesu, D. Le, I. Tanabe, E. F. Schwier, Y. Kojima, M. Zheng, K. Taguchi, K. Miyamoto, T. Okuda, H. Iwasawa, K. Shimada, T. S. Rahman<\/strong>, and P. A. Dowben, \u201cAdsorbate doping of MoS2<\/sub> and WSe2<\/sub>: the influence of Na and Co,\u201d J. Phys. Condens. Matt. 29, 285501 (2017). DOI: 10.1088\/1361-648X\/aa7482<\/li>\n\n\n\n
    77. T.B. Rawal, D. Le, and T. S. Rahman<\/strong>, “MoS2<\/sub>-Supported Gold Nanoparticle for CO Hydrogenation,” J. Phys.: Condens. Matter 29 415201 (2017).<\/li>\n\n\n\n
    78. V. Turkowski and T. S. Rahman<\/strong>, “Nonadiabatic exchange-correlation kernel for strongly correlated materials,” Journal of Physics: Condensed Matter 29, 455601 (2017).<\/li>\n\n\n\n
    79. Volodymyr Turkowski, N. Uddin and T. S. Rahman<\/strong>, \u201cTime-Dependent Density-Functional Theory and Excitons in Bulk and Two-Dimensional Semiconductors,\u201d Computations 5, 39 (2017).<\/li>\n\n\n\n
    80. P. Patoka, G. Ulrich, A.E. Nguyen, L. Bartels, P.A. Dowben, V. Turkowski, T. S. Rahman<\/strong>, P.  Hermann, B. K\u00e4stner, A. Hoehl, G. Ulm, and E. R\u00fchl, \u201cNanoscale plasmonic phenomena in   CVD-grown MoS2<\/sub> monolayer revealed by ultra-broadband synchrotron radiation based nano-FTIR spectroscopy and near-field microscopy\u201d, Optics Express 24, 1154 (2016).<\/li>\n\n\n\n
    81. L. G. Abdul Halim, Z. Hooshmand, M. R. Parida, S. M. Aly, D. Le, X. Zhang, T. S Rahman, M. Pelton, Y. Losovyj, P. A. Dowben, O. M. Bakr, O. F. Mohammed, and K. Katsiev, “pH-Induced Surface Modification of Atomically Precise Silver Nanoclusters: An Approach for Tunable Optical and Electronic Properties,\u201d Inorg. Chem. 55, 11522 (2016).<\/li>\n\n\n\n
    82. S. I. Shah, G. Nandipati, A. Karim, and T. S. Rahman<\/strong>, \u201cSelf-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface,\u201d J. Phys.: Condens. Matter 28<\/strong>, 025001 (2016).<\/li>\n\n\n\n
    83. I. Tanabe, M. Gomez, W.C. Coley, D. Le, E.M. Echeverria, G. Stecklein, V. Kandyba, S.K. Balijepalli, V. Klee, A.E. Nguyen, E. Preciado, I.H. Lu, S. Bobek, D. Barroso, D. Martinez-Ta, A. Barinov, T. S. Rahman<\/strong>, P.A. Dowben, P.A. Crowell, and L. Bartels, “Band structure characterization of WS2<\/sub> grown by chemical vapor deposition,” Applied Physics Letters 108, 252103 (2016).<\/li>\n\n\n\n
    84. I. Tanabe, T. Komesu, D. Le, T.B. Rawal, E.F. Schwier, M. Zheng, Y. Kojima, H. Iwasawa, K. Shimada, T. S. Rahman<\/strong>, and P.A. Dowben, “The symmetry-resolved electronic structure of 2H-WSe2<\/sub>(0001),” J. Phys: Condens. Matt. 28, 345503 (2016).<\/li>\n\n\n\n
    85. J. Katoch, D. Le, S. Singh, R. Rao, T. S. Rahman<\/strong> and M. Ishigami, \u201cScattering strength of the scatterer inducing variability in graphene on silicon oxide,\u201d J. Phys. Condens. Matt. 28, 115301 (2016).<\/li>\n\n\n\n
    86. S. R. Acharya, V. Turkowski, and T. S. Rahman<\/strong>, \u201cTowards TDDFT for strongly correlated materials,\u201d Computational Chemistry, Special Issue “50th Anniversary of the Kohn-Sham Theory\u2014Advances in Density Functional Theory,” Computation 4, 34 (2016).<\/li>\n\n\n\n
    87. D. Nash, D. Restrepo, N. Parra, K. Giesler, R. Penabade, M. Aminpour, D. Le, Z. Li, O. Farha, J. Harper, T. S. Rahman<\/strong>, and R. Blair, \u201cHeterogeneous Metal-Free Hydrogenation Over Defect Laden Hexagonal Boron Nitride,\u201d ACS Omega 1, 1343 (2016).<\/li>\n\n\n\n
    88. M. Alc\u00e1ntara Ortigoza, M. Aminpour, and T. S. Rahman<\/strong>, \u201cRevisiting the surface properties of Mg(0001) thin films and their effect on adatom binding energy and self-diffusion,\u201d Surf. Sci. 632, 14 (2015).<\/li>\n\n\n\n
    89. E Ridolfi, D Le, T S Rahman, E R Mucciolo and C H Lewenkopf, \u201cA tight-binding model for MoS2<\/sub> monolayers,\u201d J. Phys.: Condens. Matter 27, 365501(2015).<\/li>\n\n\n\n
    90. T. B. Rawal, S. Hong, A. Pulkkinen, M. Alatalo, and T. S. Rahman<\/strong>, \u201cAdsorption, diffusion and vibration of oxygen on Ag(110),\u201d Phys. Rev. B 92, 035444 (2015).<\/li>\n\n\n\n
    91. A. Kabir, J. Hu, V. Turkowski, R. Wu, R. Camley, and T. S. Rahman<\/strong>, \u201cMagnetic anisotropy of FePt nanoparticles,\u201d Phys. Rev B 92, 054424 (2015).<\/li>\n\n\n\n
    92. S. Hong and T. S. Rahman<\/strong>, \u201cGeometric and electronic structure and magnetic properties of Fe-Au nanoalloys: insights from ab initio calculations,\u201d Phys. Chem. Chem. Phys. 17, 28177 (2015).<\/li>\n\n\n\n
    93. M. Alcantara Ortigoza, M. Aminpour, and T. S. Rahman<\/strong>, \u201cFriedel oscillations responsible for stacking fault of adatoms: The case of Mg(0001) and Be(0001),\u201d Phys. Rev. B 91, 115401 (2015).<\/li>\n\n\n\n
    94. A. Ramirez-Torres, D. Le, and T. S. Rahman<\/strong>, \u201cEffect of monolayer substrates on the electronic structure of single layer MoS2<\/sub>,\u201d IOP Conference Series: Materials Science and Engineering, 76, 012011 (2015).<\/li>\n\n\n\n
    95. A. Kabir, V. Turkowski, and T. S. Rahman<\/strong>, \u201cA DFT + Nonhomogeneous DMFT approach for finite systems,\u201d J. Phys. Condens. Matt. 27, 125601 (2015).<\/li>\n\n\n\n
    96. D. Le, A. Barinov, E. Preciado, M. Isarraraz, I. Tanabe, T. Komesu, C. Troha, L. Bartels, T. S. Rahman<\/strong>, and P.A. Dowben, \u201cSpin-Orbit Coupling in the Band Structure of Monolayer WSe2,\u201d Journal of Physics: Condensed Matter (Fast Track) 27, 182201 (2015). doi:10.1088\/0953-8984\/27\/18\/182201<\/li>\n\n\n\n
    97. V. Turkowski, T. S. Rahman<\/strong>, \u201cNonadiabatic Time-Dependent Spin-Density Functional Theory for strongly correlated systems\u201d, J. Phys.: Condens. Matt. 26, 022201 (2014).<\/li>\n\n\n\n
    98. S. Islamuddin Shah, S. Hong and T. S. Rahman<\/strong>, \u201cA Combined DFT+KMC Study of Selective Oxidation of NH3<\/sub> on Rutile RuO2<\/sub> (110) at Ambient Pressures,\u201d J. Chem. Phys. C 118, 5226 (2014).<\/li>\n\n\n\n
    99. J. Mann, P. Odenthal, M. Isarraraz, D. Le, E. Preciado, D. Barroso; K. Yamaguchi, G. von Son, A. Nguyen, T. Tran, M. Wurch, A. Nguyen, V. Klee, S. Bobek, D. Sun, T. Heinz, T. S. Rahman<\/strong>, R. Kawakami, L. Bartels, \u201c2-Dimensional Transition Metal Dichalcogenides with Tunable Direct Band Gaps: MoS2(1-x)<\/sub>Se2x<\/sub> Monolayers\u201d Adv. Mater. 26<\/strong>, 1399 (2014).<\/li>\n\n\n\n
    100. D. Le, T. B. Rawal, and T. S. Rahman<\/strong>, \u201cSingle-Layer MoS2<\/sub> with Sulfur-Vacancies: Structure and Catalytic Application,\u201d J. Phys. Chem. C 118, 5346 (2014).<\/li>\n\n\n\n
    101. Q. Ma, M. Isarraraz, E. Preciado, V. Klee, S. Bobek, K. Yamaguchi, E. Li, P. M. Odenthal, A. Nguyen, D. Barroso, D.Sun, G. von Son Palacio, M. Gomez, A. Nguyen, D. Le, G. Pawin, J. Mann, T. F. Heinz, T. S. Rahman<\/strong>, L. Bartels, \u201cPost-Growth Tuning of the Bandgap of Singe-Layer MoS2<\/sub> Films by Sulfur\/Selenium Exchange\u201d ACS Nano 8, 4672 (2014).<\/li>\n\n\n\n
    102. M. Alc\u00e1ntara Ortigoza, R. Heid, K-P. Bohnen, and T. S. Rahman<\/strong>, \u201cAnomalously Soft and Stiff Modes of Transition-Metal Nanoparticles,\u201d J. Phys. Chem. C118, 10335 (2014).<\/li>\n\n\n\n
    103. F. Behafarid, J. Matos, S. Hong, L. Zhang, T. S. Rahman<\/strong>, B. Roldan Cuenya, \u201cStructural and electronic properties of micellar Au nanoparticles: size and ligand effects,\u201d ACS Nano 8, 6671 (2014).<\/li>\n\n\n\n
    104. E. A. Lewis, D. Le, A. D. Jewell, C. J. Murphy, T. S. Rahman<\/strong>, and E. C. H. Sykes, \u201cSegregation of Fischer-Tropsch Reactants on Cobalt Nanoparticle Surfaces,\u201d Chem. Commun.50, 6537(2014).<\/li>\n\n\n\n
    105. T. B. Rawal, V. Turkowski, and T. S. Rahman<\/strong>, \u201cComplementary roles of benzylpiperazine and iodine ‘vapor’ in the strong enhancement of orange photoluminescence from CuI(111) thin film,\u201d J. Phys.: Condens. Matter 26, 185005 (2014).<\/li>\n\n\n\n
    106. A. Ramirez-Torres, V.Turkowski, and T. S. Rahman<\/strong>, \u201cTime-dependent density-matrix functional theory for trion excitations: application to monolayer MoS2<\/sub>,\u201d Phys. Rev. B 90, 085419 (2014).<\/li>\n\n\n\n
    107. L. Kong, A. Enders, T. S. Rahman<\/strong>, and P. A. Dowben, \u201cMolecular adsorption on graphene,\u201d J. Phys. Condens. Matt. 26, 443001 (2014).<\/li>\n\n\n\n
    108. T. Komesu, D. Le, Q. Ma, E. Schwier, Y. Kojima, M. Zheng, H. Iwasawa, K. Shimada, M.Taniguchi, L. Bartels, T. S. Rahman<\/strong>, and P. Dowben, \u201cSymmetry Resolved Surface-Derived Electronic Structure of MoS2<\/sub>(0001),\u201d J. Phys. Condens. Matt. 26, 455501 (2014).<\/li>\n\n\n\n
    109. T. Komesu, D. Le, X. Zhang, Q. Ma, E. F. Schwier, Y. Kojima, M. Zheng, H. Iwasawa, K. Shimada, M. Taniguchi, L. Bartels, T. S. Rahman<\/strong>, and P. A. Dowben, \u201cOccupied and unoccupied electronic structure of Na doped MoS2<\/sub>(0001),\u201d App. Phys. Lett. 105, 241602 (2014).<\/li>\n\n\n\n
    110. M. Alc\u00e1ntara Ortigoza, I. Sklyadneva, E.V. Chulkov, R. Heid, K.-P. Bohnen, and T. S. Rahman<\/strong>, \u201cAb initio lattice dynamics and electron-phonon coupling of Bi(111),\u201d Phys. Rev. B 90, 195438 (2014).<\/li>\n\n\n\n
    111. S. A. Tenney, S. Islamuddin Shah, H. Yan, B. A. Cagg, M. S. Levine, T. S. Rahman<\/strong>, and D. A. Chen, \u201cMethanol Reaction on Pt\u2013Au Clusters on TiO2<\/sub>(110): Methoxy-Induced Diffusion of Pt,\u201d J. Phys. Chem. C117, 26998 (2013).<\/li>\n\n\n\n
    112. G. Nandipati, A. Kara, S. I. Shah, and T. S. Rahman<\/strong>, \u201cKinetically driven shape changes in early stages of two-dimensional island coarsening: Ag\/Ag(111),\u201d Phys. Rev. B 88, 115402 (2013).<\/li>\n\n\n\n
    113. V. A. Kazakova, A. S. Wu, and T. S. Rahman<\/strong>, \u201cCluster energy optimizing genetic algorithm,\u201d GECCO ’13 Proceedings of the 15th annual conference on Genetic and evolutionary computation, Pages 1317-1324 (2013); doi:10.1145\/2463372.2463536.<\/li>\n\n\n\n
    114. S. I. Shah, G. Nandipati, A. Kara, and T. S. Rahman<\/strong>, \u201cSelf-diffusion of small Ni clusters on the Ni(111) surface: A self-learning kinetic Monte Carlo study,\u201d Phys. Rev. B 88, 035414 (2013).<\/li>\n\n\n\n
    115. D. Le and T. S. Rahman<\/strong>, \u201cJoined edges in MoS2<\/sub>: metallic and half-metallic wires,\u201d J. Phys.: Condens. Matter 25, 312201 (2013).<\/li>\n\n\n\n
    116. Q. Ma, P. M. Odenthal, J. Mann, D. Le, C. S. Wang, Y. Zhu, T. Chen, D. Sun, K. Yamaguchi, T. Tran, M. Wurch, J. L. McKinley, J. Wyrick, K. Magnone, T. F. Heinz, T. S. Rahman<\/strong>, R. Kawakami, L. Bartels, \u201cControlled argon beam-induced desulfurization of monolayer molybdenum disulfide,\u201d J. Phys.: Condens. Matter 24, 252201 (2013).<\/li>\n\n\n\n
    117. S. Hong, D. Le, and T. S. Rahman<\/strong>, \u201cDeactivation of Cu2<\/sub>O(100) by CO poisoning,\u201d Top. Catal. 56, 1082 (2013).<\/li>\n\n\n\n
    118. E.A. Lewis, D. Le, A.D. Jewell, C.J. Murphy, T. S. Rahman<\/strong>, and E.C.H. Sykes, \u201cVisualization of compression and spillover in a coadsorbed system: syngas on cobalt nanoparticles,\u201d ACS Nano 7, 4384 (2013).<\/li>\n\n\n\n
    119. S. Hong and T. S. Rahman<\/strong>, \u201cRationale for the higher reactivity of interfacial sites in methanol decomposition on Au13<\/sub>\/TiO2<\/sub>(110),\u201d J. Am. Chem. Soc. 135, 7629 (2013).<\/li>\n\n\n\n
    120. D. Le, D. Sun, W. Lu, M. Aminpour, C. Wang, Q. Ma, T. S. Rahman<\/strong>, and L. Bartels, \u201cGrowth of aligned Mo6<\/sub>S6<\/sub> nanowires on Cu(111),\u201d Surf. Sci. 611, 1 (2013).<\/li>\n\n\n\n
    121. E. A. Lewis, D. Le, C. J. Murphy, A. D. Jewell, M. F. G. Mattera, M.L. Liriano, T. S. Rahman<\/strong>, E. C.H. Sykes, \u201cDissociative Hydrogen Adsorption on Close-packed Cobalt Nanoparticle Surfaces,\u201d J. Phys. Chem. C 116, 25868 (2013).<\/li>\n\n\n\n
    122. N. Nayyar, V. Turkowski, and T. S. Rahman<\/strong>, \u201cOptical generation of collective plasmon modes in small gold chains induced by doping transition-metal impurities,\u201d Phys. Rev. Lett. 109, 157404 (2012).<\/li>\n\n\n\n
    123. V. Turkowski, A. Kabir, N. Nayyar, and T. S. Rahman<\/strong>, \u201cDynamical Mean-Field Theory for Molecules and Nanostructures,\u201d J. Chem. Phys. 136, 114108 (2012).<\/li>\n\n\n\n
    124. S. Kahle, Z. Deng, N. Malinowski, C. Tonnoir, A. Forment Aliaga, N. Thontasen, G. Rinke, D. Le, V. Turkowski, T. S. Rahman<\/strong>, S. Rauschenbach, M. Ternes, and K. Kern, \u201cThe Quantum Magnetism of Individual Manganese-12-Acetate Molecular Magnets Anchored at Surfaces,\u201d NanoLett. 12, 518 (2012).<\/li>\n\n\n\n
    125. S.I. Shah, G. Nandipati, A. Kara and T. S Rahman, \u201cExtended pattern recognition scheme for self-learning kinetic Monte Carlo simulations,\u201d J. Phys. Condens. Matt. 24, 354004 (2012).<\/li>\n\n\n\n
    126. D. Sun, W. Lu, D. Le, Q. Ma, M. Aminpour, M. Alcantara Ortigoza, S. Bobek, J. Mann, J. Wyrick, T. S. Rahman<\/strong>, and L. Bartels, \u201cAn MoSx Structure with High Affinity for Adsorbate Interaction,\u201d Angew. Chem. Int. Ed. 51<\/strong>, 10284 (2012).<\/li>\n\n\n\n
    127. F. Behafarid, L. K. Ono, S. Mostafa, J. R. Croy, G. Shafai, S. Hong, T. S. Rahman<\/strong>, S. R. Bare and B. Roldan Cuenya, \u201cElectronic properties and charge transfer phenomena in Pt nanoparticles on \u03b3-Al2O3: size, shape, support, and adsorbate effects,\u201d PCCP 14, 11766 (2012).<\/li>\n\n\n\n
    128. D. Le, A. Kara, E. Schroeder, P. Hylgaard, and T. S. Rahman<\/strong>, \u201cPhysisorption of nucleobases on graphene: a comparative van der Waals study,\u201d J. Phys. Condens. Matt. 24<\/strong>, 424210 (2012).<\/li>\n\n\n\n
    129. V. Turkowski,S. Babu, D. Le, M. K. Haldar, A. Wagh, Z. Hu, A. S. Karakoti, A. J. Gesquiere, B. Law, S. Mallik, T. S. Rahman<\/strong>, M. N. Leuenberger, and S. Seal \u201cLinker-induced anomalous emission of organic molecule-conjugated metal oxide nanoparticles,\u201d ACS Nano 6, 4854 (2012).\\<\/li>\n\n\n\n
    130. P. Hyldgaard and T. S. Rahman<\/strong>, \u201cVan der Waals interactions in advanced materials, in memory of David C Langreth,\u201d J. Phys.: Condens. Matter 24, 420201 (2012).<\/li>\n\n\n\n
    131. D. Le, M. Aminpour, A. Kiejna, and T. S. Rahman<\/strong>, \u201cThe role of van der Waals interaction in the tilted binding of amine molecules to the Au(111) surface,\u201d J. Phys.: Condens. Matter 24, 222001 (2012). (chosen as IOP Select)<\/li>\n\n\n\n
    132. D. Le, D. Sun, W. Lu, L. Bartels, and T. S. Rahman<\/strong> and, \u201cSingle layer MoS2<\/sub> on the Cu(111) surface: First-principles electronic structure calculations,\u201d Phys. Rev. B 85, 075429 (2012).<\/li>\n\n\n\n
    133. G. Shafai, M. Alc\u00e1ntara Ortigoza, and T. S. Rahman<\/strong>, \u201cVibrations of Au13 <\/sub>and FeAu12<\/sub> nanoparticles and the limits of the Debye temperature concept, J. Phys.: Condens. Matter 24<\/strong>, 104026 (2012).<\/li>\n\n\n\n
    134. H. Yildirim, A. Kara, and T. S. Rahman<\/strong>,\u201d Tailoring the Electronic Structure by Alloying: the Agn<\/sub>Cu34-n <\/sub>Nanoparticle Family,\u201d J. Phys. Chem. C 116<\/strong>, 281 (2012).<\/li>\n\n\n\n
    135. G. Nandipati, A. Kara, S. I. Shah, T. S. Rahman<\/strong>, \u201c3-dimensional pattern recognition scheme for off-lattice kinetic Monte Carlo simulations,\u201d J. Comp. Phys. 231, 3548 (2012).<\/li>\n\n\n\n
    136. S. Hong, G. Shafai, M. Bertino, and T. S. Rahman<\/strong>, \u201cToward an Understanding of Ligand Selectivity in Nanocluster Synthesis\u201d J. Phys. Chem. C 115, 14478 (2011).<\/li>\n\n\n\n
    137. M. Aminpour, O.S. Trushin, and T. S. Rahman<\/strong>, \u201cEffect of misfit dislocation on surface diffusion,\u201d Phys. Rev. B 84<\/strong>, 035455 (2011).<\/li>\n\n\n\n
    138. M. Alc\u00e1ntara-Ortigoza, T. S. Rahman<\/strong>, R. Heid, and K. P. Bohnen, \u201cNature of the binding of a c(2×2)-CO overlayer on Ag(001) and surface mediated intermolecular coupling,\u201d J. Phys. Chem. A 115<\/strong>, 7291 (2011).<\/li>\n\n\n\n
    139. T. S. Rahman<\/strong>, \u201cVibrations at Surfaces,\u201d J. Phys.: Condens. Matter 23, 480301 (2011).<\/li>\n\n\n\n
    140. B. Roldan Cuenya, M. Alcantara Ortigoza, L. K. Ono, F. Behafarid, S. Mostafa, J. R. Croy, K. Paredis, G. Shafai, T. S. Rahman<\/strong>, L. Li, Z. Zhang, and J. C. Yang, \u201cThermodynamic properties of Pt nanoparticles: Size, shape, support, and adsorbate effects,\u201d Phys. Rev B 84, 005400 (2011).<\/li>\n\n\n\n
    141. A. Karim, A. Kara, O. Trushin, and T. S. Rahman<\/strong>, \u201cThe crossover from collective motion to periphery diffusion for 2D adatom-islands on Cu(111),\u201d J. Phys. Condens. Matt. (Fast Track) 23, 462201 (2011) (also selected for inclusion in IOP Select http:\/\/Select.iop.org<\/strong>).<\/li>\n\n\n\n
    142. S. A. Tenney, W. He, C. C. Roberts, J. S. Ratliff, S. I. Shah, G. S. Shafai, V. Turkowski, T. S. Rahman<\/strong> and D. A. Chen \u201cCO-induced Diffusion of Ni Atoms to the Surface of Ni-Au Clusters on TiO2<\/sub>(110),\u201d J. Phys. Chem. C 115<\/strong>, 11112 (2011).<\/li>\n\n\n\n
    143. G. Nandipati, A. Kara, S. Islamuddin Shah, and T. S. Rahman<\/strong>, \u201cIsland Size Selectivity during 2D Coarsening of Ag islands on Ag (111) Surface, \u201cJ. Phys. Condens. Matt. (Fast Track) 23<\/strong>, 262001 (2011).<\/li>\n\n\n\n
    144. R. I. Gonzalez, G. Garcia, R. Ramirez, M. Kiwi, J. A. Valdivia, T. S. Rahman<\/strong>, \u201cIron-gold nanoclusters: properties and characteristics from molecular dynamics simulations,\u2019 Phys. Rev. B 83<\/strong>. 155425 (2011).<\/li>\n\n\n\n
    145. D. Kim, D. Sun, W. Lu, Z. Cheng, Y. Zhu, D. Le, T. S. Rahman<\/strong>, and L. Bartels \u201cToward the Growth of an Aligned Single-Layer MoS2<\/sub> Film,\u201d Langmuir 27, 11650 (2011).<\/li>\n\n\n\n
    146. S. Hong, M. Alc\u00e1ntra Ortigoza, T. S. Rahman<\/strong>, E. Z. Ciftlikli, and B. J. Hinch, \u201cStress balance in nanopatterned N\/Cu(001) surfaces,\u201d Phys. Rev. B 84,<\/strong> 165413 (2011).<\/li>\n\n\n\n
    147. S. Hong, A. Karim, T. S. Rahman<\/strong>, K. Jacobi, G. Ertl, \u201cSelective Oxidation of Ammonia on RuO2<\/sub>(110): a combined DFT and KMC study,\u201d J. Catalysis 276<\/strong>, 371 (2010).<\/li>\n\n\n\n
    148. M. Alc\u00e1ntara-Ortigoza, T. S. Rahman<\/strong>, R. Heid, and K. P. Bohnen, \u201cAb initio calculations of the dispersion of surface phonons of a c(2×2) CO overlayer on Ag(001), J. Phys. Condens. Matter, 22 <\/strong>395001 (2010).<\/li>\n\n\n\n
    149. V. Turkowski, C. A. Ullrich, T. S. Rahman<\/strong>, and M. N. Leuenberger, \u201cTime-dependent density-matrix functional theory for biexcitonic phenomena,\u201d Phys. Rev. B 82<\/strong>, 205208 (2010).<\/li>\n\n\n\n
    150. V. Turkowski, A. Kabir, N. Nayyar, and T. S. Rahman<\/strong>,<\/em> \u201cDFT+DMFT approach for Nanosystems,\u201d J. Phys. Condens. Matt (Fast Track) 22<\/strong>, 462202 (2010).<\/li>\n\n\n\n
    151. D. Sun, D-H. Kim, D. Le, \u00d8. Borck, K. Berland, K. Kim, W. Lu, Y. Zhu, M. Luo, J. Wyrick, Z. Cheng, T. L. Einstein, T. S. Rahman<\/strong>, P. Hyldgaard, and L. Bartels, \u201cEffective elastic properties of a van der Waals molecular monolayer at a metal surface<\/a>,\u201d Phys. Rev. B 82<\/strong>, 201410 (2010).<\/li>\n\n\n\n
    152. S. Sikandar Hayat, M. Alc\u00e1ntara-Ortigoza and T. S. Rahman<\/strong>, \u201cDiffusion of Cu monomer and dimer on Ag(111): results of ab intio<\/em> calculations and Molecular Dynamics Method,\u201d Phys. Rev. B 82<\/strong>, 085405 (2010).<\/li>\n\n\n\n
    153. H. Yildirim, A. Kara, T. S. Rahman<\/strong>, R. Heid, and K.P. Bohnen, \u201cSurface vibrational thermodynamics from ab initio calculations for fcc(100),\u201d Surf. Sci. 604, 308 (2010).<\/li>\n\n\n\n
    154. E.Z. Ciftlikli, L.V. Goncharova, B.J. Hinch, M. Alc\u00e1ntra Ortigoza, S. Hong, and T. S. Rahman<\/strong>, \u201cVibrational Dynamics of a c(2×2)<\/em> phase Induced by nitrogen adsorption on Cu(001),\u201d Phys. Rev. B 81<\/strong>, 115465 (2010).<\/li>\n\n\n\n
    155. H. Yildirim and T. S. Rahman<\/strong>, \u201cDiffusion barriers for Ag and Cu adatoms on the terraces and step edges on Cu(100) and Ag(100): An ab initio study,\u201d Phys. Rev. B 80, 235413 (2009).<\/li>\n\n\n\n
    156. T. S. Rahman<\/strong>, \u201cComputational methodologies for designing materials,\u201d J. Phys.: Condens. Matter 21, 080301 (2009).<\/li>\n\n\n\n
    157. F. Rabbering, A. Kara, H. Wormeester, T. Warnaar, O. Trushin, T. S. Rahman<\/strong>, and B. Poelsema, \u201cDispersed Forces from Measured Shape Anisotropy of Adatom Islands: Revelations from an Accelerated Simulation Scheme,\u201d Phys. Rev. Lett. 103<\/strong>, 096105 (2009).<\/li>\n\n\n\n
    158. A. Vincent, S. Babu, E. Heckert, J. Dowding, S. M. Hirst, T. M. Inerbaev, W. T. Self, C. M. Reilly, A. E. Masunov, T. S. Rahman<\/strong>, and S. Seal, \u201cProtonated Nanoparticle Surface Governing Ligand Tethering and Cellular Targeting,\u201d ACS Nano<\/em> 3<\/strong> , 1203 (2009).<\/li>\n\n\n\n
    159. Faisal Mehmood, Abdelkader Kara, Talat S. Rahman, Claude R. Henry,\u201d Comparative study of CO adsorption on flat, stepped and kinked Au surfaces using density functional theory,\u201d Phys. Rev B79, <\/strong>075422 (2009)<\/li>\n\n\n\n
    160. M. Alc\u00e1ntara-Ortigoza, T. S. Rahman<\/strong>, R. Heid, and K. P. Bohnen, \u201cEffect of c(2×2)-CO overlayer on the phonons of Cu(001): A first-principles study,\u201d Phys. Rev. B79<\/strong>, 125432 (2009).<\/li>\n\n\n\n
    161. H. Yildirim, A. Kara, and T. S. Rahman<\/strong>, \u201cStructure, Dynamics and Thermodynamics of Ag-Cu Nanoalloys,\u201d J. Phys. Cond. Matt. 21, <\/strong>084220 (2009).<\/li>\n\n\n\n
    162. G. Nandipati, Y. Shim, J. G. Amar, A. Karim, A. Kara, T. S. Rahman<\/strong>, and O. Trushin, \u201cParallel kinetic Monte Carlo simulations of Ag(111) island coarsening using a large database,\u201d J. Phys. Cond. Matt. 21, <\/strong>084214 (2009).<\/li>\n\n\n\n
    163. A. Kara, O. Trushin, H. Yildirim, and T. S. Rahman<\/strong>, \u201cOff Lattice Self Learning Kinetic Monte Carlo: Homo and Hetero 2D Custer Diffusion on fcc(111),\u201d J. Phys. Cond. Matt. 21, <\/strong>084213 (2009).<\/li>\n\n\n\n
    164. S. Stolbov, M. Alcantara Ortigoza, and T. S. Rahman<\/strong>, \u201cApplication of the density functional theory to CO tolerance in fuel cells: a brief review,\u201d J. Phys. Conden. Matt. 21, 474226 (2009).<\/li>\n\n\n\n
    165. D. T. Le, S. Stolbov, and T. S. Rahman<\/strong>, \u201cReactivity of the Cu2<\/sub>O(100) surface: Insight from first principles calculations,\u201d Surf. Sci. 603<\/strong>, 1637 (2009).<\/li>\n\n\n\n
    166. S. Stolbov, M. Alcantara Ortigoza, T. S. Rahman<\/strong>, and R. Adzic, \u201cCO Tolerance of Pt Islets on Ru(1000) and their Implications for Pt-Ru Nanocatalysts: insights from first principles calculations,\u201d J. Chem. Phys. 130<\/strong>, 124714 (2009).<\/li>\n\n\n\n
    167. G. Shafai, S. Hong, and T. S. Rahman<\/strong>, \u201cEffect of ligands on the geometric and electronic structure of Au13 <\/sub>clusters,\u201d J. Phys. Chem.C113<\/strong>, <\/em>12072 (2009).<\/li>\n\n\n\n
    168. A. Al-Rawi, A. Herrera, G. A. Cook, N. Nouri, T. S. Rahman<\/strong>, J. M. Tomich, and J. Chen, \u201cSimulation of the Pore Structures for Two M2GlyR Derived Channel-Forming Peptides in POPC Bilayers, submitted to Biophysical Jour.<\/li>\n\n\n\n
    169. Ki-Y. Kwon, G. Pawin, K. Wong, E. Peters, D-H. Kim, S. Hong, T. S. Rahman<\/strong>, M. Marsella, and L. Bartels, \u201cH-atom Position as Pattern-Determining Factor in Arenethiol Films,\u201d J. Amer. Chem. Soc. 131<\/strong>, 5540 (2009).<\/li>\n\n\n\n
    170. M. Alc\u00e1ntara Ortigoza and T. S. Rahman<\/strong>; \u201cSymmetry and novelty in the electronic and geometric structure of nanoalloys: the case of Ag27<\/sub>Cu7<\/sub>\u201d; Contemporary Physics: Proceedings of the International Symposium by Jamil Aslam, Faheem Hussain, Riazuddin; Published by World Scientific (2008)<\/li>\n\n\n\n
    171. M. Alc\u00e1ntara-Ortigoza and T. S. Rahman<\/strong>, \u201cFirst principles calculations of the electronic and geometric structure of Ag27<\/sub>Cu7<\/sub> Nanoalloy,\u201d Phys. Rev. B 77<\/strong>, 195404 (2008).<\/li>\n\n\n\n
    172. S. Hong and Talat S. Rahman, \u201cAdsorbate induced changes in surface stress and phonon dispersion curves of chemisorbed systems,\u201d J. Phys. Cond. Matt. 20, <\/strong>224005 (2008).<\/li>\n\n\n\n
    173. M. Alc\u00e1ntara-Ortigoza, T. S. Rahman<\/strong>, R. Heid, and K. P. Bohnen, \u201cFirst principles study of the lattice dynamics of c(2×2)-CO on Cu(001) ,\u201d J. Phys. Cond. Matt 20 , <\/strong>224009 (2008).<\/li>\n\n\n\n
    174. M. Lahti A. Puisto M. Alatalo, T. S. Rahman<\/strong>, \u201cThe role of preadsorbed sulphur and oxygen in O2<\/sub> dissociation on Pd(100),\u201d Surf. Sci. 602<\/strong>, 3660 (2008).<\/li>\n\n\n\n
    175. G. Pawin, K. L. Wong, D. Kim, D. Sun, L. Bartels, S. Hong, T. S. Rahman<\/strong>, R. Carp, and M. Marsella, \u201cA surface coordination network based on substrate-derived metal adatoms with local charge excess,\u201d Angew. Chem. Int. Ed. 47<\/strong>, 8442 (2008).<\/li>\n\n\n\n
    176. G. Pawin, K. L. Wong, K-Y. Kwon, R. J. Frisbee, T. S. Rahman<\/strong>, and L. Bartels, \u201cSurface Diffusive Motion in a Periodic and Asymmetric Potential,\u201d J. Amer. Chem. Soc. 130<\/strong>, 15244 (2008).<\/li>\n\n\n\n
    177. 3M. Alc\u00e1ntara-Ortigoza, S. Stolbov, and T. S. Rahman<\/strong>, \u201cFormation of Pt islets on facets of Ru nanoparticles: First-principles study,\u201d Phys. Rev. B 78<\/strong>, 195417 (2008).<\/li>\n\n\n\n
    178. H. Oughaddou, B. Aufray, J-P Bib\u00e9rian, B. Ealet, G. L. Lay, G. Tr\u00e9glia, A. Kara and T. S. Rahman<\/strong>, \u201cSelf-organization of Ge tetramers on Ag(0 0 1) surface: A 2D realization of unusual substrate mediated interactions,\u201d Surf. Sci. 602<\/strong>, 506 (2008)<\/li>\n\n\n\n
    179. A. Deshpande, D. P. Acharya, J. Vaughn, K-F. Braun, S-W. Hla,<\/sup>, H. Yildirim, A. Kara, and T. S. Rahman<\/strong>, \u201cAtom-by-atom extraction by controlling a scanning tunneling microscope tip-cluster interaction,\u201d Phys. Rev. Lett. 98, <\/strong>028304 (2007).<\/li>\n\n\n\n
    180. S. Hong, T. S. Rahman<\/strong>, K. Jacobi, and G. Ertl, \u201cInteraction of NO with RuO2<\/sub>(110) Surface: A First Principles Study,\u201d J. Phys. Chem. C 111<\/strong>, 12361 (2007).<\/li>\n\n\n\n
    181. K. L. Wong, G. Pawin, K.-Y. Kwon, X. Lin, T. Jiao, U. Solanki, R. H. J. Fawcett, L. Bartels, S. Stolbov, and T. S. Rahman<\/strong>, \u201cA Molecule Carrier,\u201d Science 315<\/strong>, 1391 (2007).<\/li>\n\n\n\n
    182. T. S. Rahman<\/strong>, S. Stolbov, and F. Mehmood, \u201cAlkali-induced effects on metal substrates and coadsorbed molecules,\u201d Appl. Phys. A87, <\/strong>367 (2007).<\/li>\n\n\n\n
    183. X. Mo, Y. Hiromasa, M. Warner, A. Al-Rawi, T. Iwamoto, T. S. Rahman<\/strong>, X. Sun, and J. M. Tomich \u201cDesign of 11-Residue Peptides with Unusual Biophysical Properties: Induced Secondary Structure in the Absence of Water,\u201d Biophysical Jour. 94,<\/strong> 1807 (2007).<\/li>\n\n\n\n
    184. H. Yildirim, A. Kara, and T. S. Rahman<\/strong>, \u201cOrigin of quasi-constant pre-exponential factors for adatom diffusion on Cu and Ag surfaces,\u201d Phys. Rev. B 76<\/strong>, 165421 (2007)<\/li>\n\n\n\n
    185. C. Ghosh, A. Kara, and T. S. Rahman<\/strong>, \u201cUsage of Pattern Recognition Scheme in Kinetic Monte Carlo Simulations: Application to Cluster Diffusion on Cu(111),\u201dSurf. Sci. 601<\/strong>, 3159 (2007).<\/li>\n\n\n\n
    186. H. Yildirim, A. Kara, and T, S. Rahman, \u201cTip-induced adatom extraction and cluster manipulation,\u201d Phys. Rev. B 75<\/strong>, 205409 (2007).<\/li>\n\n\n\n
    187. S. Hong and T. S. Rahman<\/strong>, \u201cAdsorption and diffusion of hydrogen on Pd(211) and Pd(111): Results from first-principles electronic structure calculations, Phys. Rev. B 75<\/strong>, 155405 (2007)<\/li>\n\n\n\n
    188. H. Yildirim, A. Kara, S. Durukano\u011flu, and T. S. Rahman<\/strong>, \u201cContribution of Vibrational Dynamics to the Energetics and prefactors of Adatom Diffusion on Vicinals of Cu(100) and Cu(110),\u201d Surf. Sci. 600<\/strong>, 484 (2006).<\/li>\n\n\n\n
    189. S. Stolbov and T. S. Rahman<\/strong>, Alkali induced enhancement of surface electronic polarizibility, Phys. Rev. Lett. 96<\/strong>, 186801 (2006).<\/li>\n\n\n\n
    190. C. Ghosh, A. Kara, and T. S. Rahman<\/strong>, \u201cDiffusion of two dimensional Cu islands on Cu(111), in Recent Developments in Computer Simulation Studies in Condensed Matter XVII, D. P. Landau, S. P. Lewis, and H.-B. Schuettler (Eds.) Springer Proceedings in Physics (2006), pages 215 – 240.<\/li>\n\n\n\n
    191. A. Kara and T. S. Rahman<\/strong>, \u201cStructure, Dynamics and Thermodynamics of a chiral surface: Cu(532),\u201d J. Phys. Condens. Matter, 18<\/strong>, 8883 (2006).<\/li>\n\n\n\n
    192. C. Ghosh, A. Kara and T. S. Rahman<\/strong>, \u201cLateral and Vertical Manipulation of Adatoms on Surfaces,\u201d Journal of Nanoscience and Nanotechnology, 6<\/strong>, 1068 (2006).<\/li>\n\n\n\n
    193. S. Durukano\u011flu, O. Trushin, and T. S. Rahman<\/strong>, \u201cThe effect of step-step separation on diffusion processes,\u201d Phys. Rev. B 73<\/strong>, 125426 (2006).<\/li>\n\n\n\n
    194. A. Karim, A. Al-Rawi, A. Kara, O. Trushin, T. Ala Nissila and T. S. Rahman<\/strong>, \u201cDiffusion of small two dimensional Cu clusters on Cu(111): applications of a self-learning kinetic Monte Carlo method,\u201d Phys. Rev. B 73<\/strong>, 165411 (2006).<\/li>\n\n\n\n
    195. F. Mehmood, A. Kara, K. P. Bohnen, and T. S. Rahman<\/strong>, \u201cEnergetics of CO on stepped and kinked Cu surfaces: a comparative theoretical study,\u201d Phys. Rev. B74<\/strong>, 155439 (2006).<\/li>\n\n\n\n
    196. F. Mehmood, A. Kara, and T. S. Rahman<\/strong>, \u201cFirst principles study of the electronic and geometric structure of Cu(532),\u201d Surface Science 600<\/strong>, 4501 (2006).<\/li>\n\n\n\n
    197. H. Yildirim, A. Kara, and T. S. Rahman<\/strong>, E. D. Calisir, S. Erkoc, M. Selvi, and F. Erkoc, \u201cTheoretical comparative study of the structure, dynamics and electronic properties of three allyl molecules: Allicin, methyl propyl disulfide (MPD) and allyl methyl sulfide (AMS),\u201d Int. J. Appl. Chem. 1, 171 (2006)<\/li>\n\n\n\n
    198. E. D. Calisir, S. Erkoc, H. Yildirim, A. Kara, and T. S. Rahman<\/strong>, M. Selvi, and F. Erkoc, \u201cTheoretical comparative study of the structure, dynamics and electronic properties of two allyl molecules: S-allyl cysteine (SAC) and S-allyl mercaptocysteine (SAMC),\u201d Int. J. Appl. Chem. 1, 47 (2006).<\/li>\n\n\n\n
    199. M. Alc\u00e1ntara-Ortigoza, R. A. Klemm, and T. S. Rahman<\/strong>, \u201cComment on \u201cMagnetization of two-dimensional square arrays of nanomagnets,\u201d Phys. Rev B 74<\/strong>, 226401 (2006)\u2019<\/li>\n\n\n\n
    200. G. Srajer, L.H. Lewis, S.D. Bader, A.J. Epstein, C.S. Fadley, E.E. Fullerton, A. Hoffmann, J.B. Kortright, K. M. Krishnan, S.A. Majetich, T. S. Rahman<\/strong>, C.A. Ross, M.B. Salamon, I.K. Schuller, T.C. Schulthess, J.Z. Sun, \u201cAdvances in Nanomagnetism via X-ray Techniques,\u201d Jour. Magnetism and Magnetic Materials 307<\/strong>, 1 (2006).<\/li>\n\n\n\n
    201. B. White, M. Yin, A. Hall, D. Le, S. Stolbov, T. S. Rahman<\/strong>, N. Turro, and S. O’Brien, \u201cComplete CO oxidation over Cu2O nanoparticles supported on silica gel,\u201d Nano Letters 6,<\/strong> 2095 (2006).<\/li>\n\n\n\n
    202. T. S. Rahman<\/strong>, A. Kara, A. Karim, and O. Trushin, \u201cCluster diffusion and coalescence on metal surfaces: applications of a Self-learning Kinetic Monte-Carlo method,\u201d in Modeling of Morphological Evolution at Surfaces and Interfaces<\/em>, edited by J. Evans, C. Orme, M. Asta, and Z. Zhang (Mater. Res. Soc. Symp. Proc. 859E<\/strong>, Warrendale, PA, 2005), JJ8.4.<\/li>\n\n\n\n
    203. K.-Y. Kwon, K. L. Wong, G. Pawin, L. Bartels, S. Stolbov, and T. S. Rahman<\/strong>, \u201cUnidirectional adsorbate motion on a high-symmetry surface: \u2018Walking\u2019 molecules can stay the course,\u201d Phys. Rev. Lett., 95<\/strong> 166101 (2005); see also Physics News Update (AIP) No751 #2 (2005)<\/a> .<\/li>\n\n\n\n
    204. S. Stolbov<\/strong> and T. S. Rahman, <\/strong>First principles study of some factors controlling the rate of ammonia decomposition on Ni and Pd surfaces, J. Chem. Phys.123, 204716 (2005).<\/strong><\/li>\n\n\n\n
    205. S. Stolbov, S. Hong, A. Kara, and T. S. Rahman<\/strong>, Origin of the C induced p4g <\/em>reconstruction of Ni(001), Phys. Rev. B 72<\/strong>,155423 (2005); also selected for the October 31, 2005 issue of Virtual Journal of Nanoscale Science & Technology (AIP, APS) http:\/\/www.vjnano.org\/<\/strong>.<\/li>\n\n\n\n
    206. O. Trushin, A. Karim, A. Kara , and T. S. Rahman<\/strong>, \u201cSelf-learning kinetic Monte Carlo method: Application to Cu(111),\u201d Phys. Rev. B 72, <\/strong>115401 (2005).<\/li>\n\n\n\n
    207. S. Hong, T. S. Rahman<\/strong>, R. Heid and K. P. Bohnen, First principles calculations of the phonon dispersion curves of H on Pt(111),\u201d Phys. Rav. B 71<\/strong>, 245409 (2005).<\/li>\n\n\n\n
    208. A. Kara and T. S. Rahman<\/strong>, \u201cVibrational dynamics and thermodynamics of surfaces and nanostructures,\u201d Surf. Sci. Rep. 56<\/strong>, 159 (2005).<\/li>\n\n\n\n
    209. S. Hong, T. S. Rahman<\/strong>, R. Heid, and K. P. Bohnen, \u201cInsights from calculated phonon dispersion curves for an overlayer of H on Pt(111),\u201d Surf. Sci. 587<\/strong>, 41 (2005).<\/li>\n\n\n\n
    210. E. Cox, M. Li, P.-W. Chung, C. Ghosh, T. S. Rahman<\/strong>, C.J. Jenks, J.W. Evans, and P.A. Thiel, \u201cTemperature-Dependence of Island Growth Shapes in Submonolayer Deposition of Ag on Ag(111)\u201d, Phys. Rev. B 71<\/strong>, 115414 (2005).<\/li>\n\n\n\n
    211. S. Durukano\u011flu, A. Kara and T. S. Rahman<\/strong> \u201cThe role of lattice vibrations in adatom diffusion at metal stepped surfaces,\u201d Surf. Sci., 587, 128 (2005) (invited paper).<\/li>\n\n\n\n
    212. M. A. Ortigoza, R. A. Klemm, and T. S. Rahman<\/strong>, \u201cEffect of dipolar interactions on the magnetization of cubic single molecule magnets,\u201d Phys. Rev. B 72<\/strong>, 174416 (2005).<\/li>\n\n\n\n
    213. M.O. Jahma, M. Rusanen, A. Karim, I.T. Koponen, T. Ala-Nissila and T. S. Rahman<\/strong>, \u201cDiffusion and submonolayer island growth during hyperthermal deposition on Cu(100) and Cu(111),\u201d Surface Science 598<\/strong>, 246 (2005).<\/li>\n\n\n\n
    214. S. Hong, T. S. Rahman<\/strong>, R. Heid and K. P. Bohnen, \u201cFirst-principles calculations of the dispersion of surface phonons on unreconstructed and reconstructed Pt(110),\u201d Phys. Rev. B 72<\/strong>, 205424 (2005).<\/li>\n\n\n\n
    215. A. Kara, A. Al-Rawi, and T. S. Rahman<\/strong>, \u201cVibrational dynamics and excess entropy of multi-grain nanoparticles,\u201d J. Comp. and Theo. Nanoscience 1<\/strong>, 216 (2004).<\/li>\n\n\n\n
    216. A. Karim, M. Rusanen, I. T. Koponen, T. Ala-Nissila, and T. S. Rahman<\/strong>, \u201cFluctuation of Surface Steps in Thermal Equilibrium: a kinetic Monte Carlo study,\u201d Surf. Sci. 554<\/strong>, L113 (2004).<\/li>\n\n\n\n
    217. S. Hong, A. Kara, T. S. Rahman<\/strong>, R. Heid, and K. P. Bohnen, \u201cAb initio calculations of adsorbate induced Stress on Ni(100),” Phys. Rev. B 69<\/strong>, 195403 (2004).<\/li>\n\n\n\n
    218. S. <\/strong>Stolbov, F. Mehmood, T. S. Rahman<\/strong>, I. Makkonen, P. Salo, and M. Alatalo, \u201cSite selectivity in chemisorption of C on Pd(211),\u201d Phys. Rev B 70<\/strong>, 155410 (2004).<\/li>\n\n\n\n
    219. K. L. Wong, X. Lin, K.-Y. Kwon, G. Pawin, B. V. Rao, A. Liu and L. Bartels,
      S. Stolbov, and T. S. Rahman<\/strong>, \u201cHalogen-Substituted Thiophenol Molecules on Cu(111),\u201d Langmuir 20<\/strong>, 10928 (2004).<\/li>\n\n\n\n
    220. A. Al-Rawi, A. Kara, and T. S. Rahman<\/strong>, \u201cTheoretical study of the structure and vibrational dynamics of Cu3<\/sub>Au(511),J. Phys.: Condens. Matter 16<\/strong>, S2967, (2004).<\/li>\n\n\n\n
    221. T. S. Rahman<\/strong>, A. Kara, and S. Durukano\u011flu, \u201cStructural relaxations, vibrational dynamics and thermodynamics of vicinal surfaces,\u201dJ. Phys.: Condens. Matter 15<\/strong>, S3197 (2004).<\/li>\n\n\n\n
    222. T. S. Rahman<\/strong>, C. Ghosh, O. Trushin, A. Kara, and A. Karim, \u201cAtomistic Studies of Thin Film Growth, Proc. SPIE Annual Meeting 2004, 5509<\/strong>, 1 (2004).<\/li>\n\n\n\n
    223. F. Baumberger, Th. Herrman, A. Kara, S. Stolbov. N. Esser, T. S. Rahman<\/strong>, J. Osterwalder, W. Richter, and T. Greber, \u201cOptical recognition of atomic steps on surfaces,\u201d Phys. Rev. Lett. 90<\/strong>, 177402 (2003).<\/li>\n\n\n\n
    224. I. Makkonen, P. Salo, M. Alatalo, and T. S. Rahman<\/strong>, \u201cAb initio<\/em> studies of stepped Pd surfaces with and without S,\u201d Phys. Rev. B, 67<\/strong>, 165415 (2003).<\/li>\n\n\n\n
    225. R. Nunthel, T. Gleitsmann, P. Poulopoulos, A. Scherz, J. Linder, E. Kosubek, Ch. Litwinski, Z. Li, H. Wende, K. Baberschke, S. Stolbov, and T. S. Rahman<\/strong>, \u201cImpact of surfactant-assisted epitaxial growth of Ni on Cu(001) on magnetic properties,\u201d Surf. Sci. 531, <\/strong>53 (2003).<\/li>\n\n\n\n
    226. S. Durukano\u011flu and T. S. Rahman<\/strong>, \u201cStructure of Ag(410) and Cu(320),\u201d Phys Rev. B 67<\/strong>, 205406 (2003).<\/li>\n\n\n\n
    227. S. Durukano\u011flu, A. Kara, and T. S. Rahman<\/strong>, \u201cExcess and Local Thermodynamic Properties of Stepped Metal Surfaces,\u201d Phys. Rev. B 67<\/strong>, 235405 (2003).<\/li>\n\n\n\n
    228. I. Makkonen, P. Salo, M. Alatalo, and T. S. Rahman<\/strong>, \u201cCharacteristics of adsorption of S on Pd vicinal surfaces,\u201d Surf. Sci. 532-535<\/strong>, 154 (2003).<\/li>\n\n\n\n
    229. M. Tringides, Z. Chvoj, C. Ghosh, and T. S. Rahman<\/strong>, \u201cPrefactors for interlayer diffusion: Ag\/Ag(111),\u201d J. Phys.: Condensed Matter 15<\/strong>, 5223 (2003).<\/li>\n\n\n\n
    230. T. S. Rahman<\/strong>, A. Kara, and S. Durukano\u011flu, \u201cStructural relaxations, vibrational dynamics and thermodynamics of vicinal surfaces,\u201d J. Phys. Condensed Matter 15<\/strong>, S3197 (2003).<\/li>\n\n\n\n
    231. S. Stolbov and T. S. Rahman<\/strong>, \u201cRole of Long Range Interaction in Oxygen Superstructure Formation on Cu(001) and Ni(001), Phys. Rev. Lett., 89<\/strong>, 116101 (2002).<\/li>\n\n\n\n
    232. S. Stolbov and T. S. Rahman<\/strong>, \u201cRelationship between electronic and geometric structures of the O\/Cu(001) system,\u201d J. Chem Phys, 117,<\/strong> 8523 (2002).<\/li>\n\n\n\n
    233. M. Rusanen, I. T. Koponen, T. Ala-Nissila, C. Ghosh, and T. S. Rahman<\/strong>, \u201cMorphology of ledge patterns during step flow growth of metal surfaces vicinal to fcc(001),\u201d Phys. Rev. B 65<\/strong> (Rapid Comm.), 041404 (2002).<\/li>\n\n\n\n
    234. R. Heid, A. Kara, K. P. Bohnen, and T. S. Rahman<\/strong>,\u201d Ab initio<\/em> Calculations of Multilayer Relaxations of Stepped Cu Surfaces,\u201d Phys. Rev. B. 65, <\/strong>115405 (2002).<\/li>\n\n\n\n
    235. T. S. Rahman<\/strong>, J. D. Spangler, and A. Al-Rawi, \u201cTemperature Variation of Surface Phonon Linewidth: low Miller index surfaces of Ag and Cu,\u201d Surf. Sci. 502-503<\/strong>, 429, 2002.<\/li>\n\n\n\n
    236. S.V. Stolbov, A. Kara, and T. S. Rahman<\/strong>, \u201cElectronic Structure of the c(2×2)O\/Cu(001) System,\u201d Phys. Rev. B. 66<\/strong>, 245405 (2002).<\/li>\n\n\n\n
    237. A. Kara and T. S. Rahman<\/strong>, \u201cPhonons of metallic vicinal surfaces,\u201d Surf. Sci. 502-503<\/strong>, 449, 2002.<\/li>\n\n\n\n
    238. C. Ghosh, A. Kara, and T. S. Rahman<\/strong>, \u201cTheoretical aspects of vertical and lateral manipulation of atoms,\u201d Surf. Sci. 502-503<\/strong>, 519, 2002.<\/li>\n\n\n\n
    239. A. Al-Rawi and T. S. Rahman<\/strong>, \u201cComparative Study of Anharmonic Effects on Ag(111), Cu(111), and Ni(111),\u201d Phys. Rev. B. 66<\/strong>, 165439 (2002).<\/li>\n\n\n\n
    240. A. Al-Rawi, C. Ghosh, P. Staikov, A. Kara, and T. S. Rahman<\/strong>, \u201cValidity of the Quasiharmonic Analysis for Surface Thermal Expansion of Ag(111),\u201d Phys. Rev. Lett. 86<\/strong>, 2074 (2001).<\/li>\n\n\n\n
    241. A. Karim, A. Kara, A. Al-Rawi and T. S. Rahman<\/strong>, \u201cDiffusion Paths, Barriers and Prefactors: Ag clusters on Ag(111),\u201d in Collective Diffusion on Surfaces:Correlation Effects and Adatom Interactions<\/em>, edts M.C.Tringides and Z. Chvoj (Kluwer 2001).<\/li>\n\n\n\n
    242. T. S. Rahman<\/strong>, \u201cSimulations of Surface Phenomena,\u201d in Methods in Materials Research, Ed. J. M. Sanchez, J. Wiley, NY (2001).<\/li>\n\n\n\n
    243. P. Staikov and T. S. Rahman<\/strong>, \u201cMultilayer Relaxations of Mg Surfaces,\u201d Phys. Rev. B60<\/strong>, 15613 (1999).<\/li>\n\n\n\n
    244. A. Al-Rawi, A. Kara and T. S. Rahman<\/strong>, \u201cAnharmonic Effects on Ag(111): A Molecular Dynamics Study,\u201d Surface Science 446<\/strong>, 17 (2000).<\/li>\n\n\n\n
    245. A. Kara, P. Staikov, T. S. Rahman<\/strong>, J. Radnik, R. Biage and H.J. Ernst, \u201cHigh Frequency Phonon Modes on Stepped and Kinked Cu Surface: Experiment and Theory,\u201d Phys. Rev. B61<\/strong>, 5714 (2000).<\/li>\n\n\n\n
    246. W. Fei, A. Kara, and T. S. Rahman<\/strong>, \u201cContributions of Vibrational Dynamics to the Local and Excess Thermodynamic Properties of Cu3<\/sub>Au Surfaces,\u201d Phys. Rev. B61<\/strong>, 16105 (2000).<\/li>\n\n\n\n
    247. U. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cTip Induced Motion of Adatoms on Metal Surfaces,\u201d Phys. Rev. Lett. 83<\/strong>, 2765 (1999).<\/li>\n\n\n\n
    248. U. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cMonovacancy Diffusion on Ag(100), Cu(100), and Ni(100): Prefactor and Activation Barriers,\u201d Phys. Rev. B59<\/strong>, 11014 (1999).<\/li>\n\n\n\n
    249. U. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cThe Role of Vibrational Entropy in Surface Diffusion: Adatoms and Vacancies of Ag(100), Cu(100), and Ni(100),\u201d Surf. Science 427<\/strong>, 15 (1999).<\/li>\n\n\n\n
    250. S. Durukano\u011flu and T. S. Rahman<\/strong>, \u201cAtomic Relaxations on Stepped Cu(410),\u201d Surface Science 409<\/strong>, 395 (1998).<\/li>\n\n\n\n
    251. U. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cDiffusion Process Relevant to Homoepitaxial Growth of Ag(100),\u201d Phys. Rev. B57<\/strong>, 2482 (1998).<\/li>\n\n\n\n
    252. U. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cDiffusion Processes and Pre-Exponential Factors in Homoepitaxial Growth on Ag(100),\u201d in vol. 492, MRS Symposium Proceedings series, editors : S. R. Phillpot, P. D. Bristowe, D. G. Stroud and J. R. Smith, 1998.<\/li>\n\n\n\n
    253. A. Kara and T. S. Rahman<\/strong>, \u201cVibrational Dynamics and Thermodynamics of Metallic Nanocrystallines,\u201d Phys. Rev. Lett. 81<\/strong>, 1453 (1998).<\/li>\n\n\n\n
    254. T. S. Rahman<\/strong>, Z. Tian and J. Black, \u201cSurface Disordering, Roughening and Pre-melting on Ag(110),\u201d Surf. Sci. 374<\/strong>, 9 (1997).<\/li>\n\n\n\n
    255. U. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cThe Influence of Lattice Vibrations on Surface Self Diffusion,\u201d in Surface Diffusion: Atomistic and Collective Processes, NATO-ASI Series, ed. M.C. Tringides, Plenum, NY 1997, p. 589.<\/li>\n\n\n\n
    256. S. Durukano\u011flu, A. Kara and T. S. Rahman<\/strong>, \u201cVibrational Modes and Relative Stability of Stepped Surfaces of Copper,\u201d in Surface Diffusion: Atomistic and Collective Processes, NATO-ASI Series, ed. M.C. Tringides, Plenum, NY, 1997, p. 599.<\/li>\n\n\n\n
    257. A. Kara, S. Durukano\u011flu, and T. S. Rahman<\/strong>, \u201cVibrational Dynamics and Thermodynamics of Ni(977),\u201d J. Chem. Phys. 106<\/strong>, 2031 (1997).<\/li>\n\n\n\n
    258. U. K\u00fcrpick, A. Kara and T. S. Rahman<\/strong>, \u201cThe Role of Lattice Vibrations in Adatom Diffusion,\u201d Phys. Rev. Lett. 78<\/strong>, 1086 (1997).<\/li>\n\n\n\n
    259. P. Staikov, A. Kara and T. S. Rahman<\/strong>, \u201cFirst Principles Studies of the Thermodynamics Properties of Bulk Li,\u201d J. Phys.: Condensed Matter 9<\/strong>, 2135 (1997).<\/li>\n\n\n\n
    260. M. Stindtmann, M. Farle, T. S. Rahman<\/strong>, L. Benabid and K. Baberschke, \u201cGrowth and Morphology of Ni(111)\/Re(0001) Ultra Thin Films: an In-Situ Study Using Scanning Tunneling Microscopy,\u201d Surf. Sci. 381<\/strong>, 12 (1997).<\/li>\n\n\n\n
    261. U. K\u00fcrpick, P. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cAtomic Processes in Vacancy Island Motion on Ag(111),\u201d Surf. Sci. Lett. 383<\/strong>, L713 (1997).<\/li>\n\n\n\n
    262. U. K\u00fcrpick and T. S. Rahman<\/strong>, \u201cVibrational Free Energy Contribution to Self-Diffusion on Ni(100), Cu(100) and Ag(100), Surf. Sci. 383<\/strong>, 137 (1997).<\/li>\n\n\n\n
    263. A. Kara, P. Staikov, A. Al-Rawi and T. S. Rahman<\/strong>, \u201cThermal Expansion of Ag(111),\u201d Phys. Rev. B55<\/strong>, R13440 (1997).<\/li>\n\n\n\n
    264. S. Durukano\u011flu, A. Kara and T. S. Rahman<\/strong>, \u201cLocal Vibrational and Structural Properties of Stepped Surfaces: Cu(331), Cu(211) and Cu(511),\u201d Phys. Rev. B55<\/strong>, 13894 (1997).<\/li>\n\n\n\n
    265. W. Bailey, T. S. Rahman<\/strong>, J.E. Davenport and M. Strongin, \u201cAdsorption and Desorption of Hydrogen in the SSC Beamline,\u201d J. Vac. Sci. and Technol, A15<\/strong>, 2998 (1997).<\/li>\n\n\n\n
    266. T. S. Rahman<\/strong>, \u201cDynamics and Structure at Metal Surfaces–A Molecular Dynamics Study\u201d (invited paper), Condensed Matter Theories, Vol. 9, Nova, NY 1994, p. 299.<\/li>\n\n\n\n
    267. J.W. Davenport, N. Chetty, S. Narasimham, J. Pasciak, R. Peierls, T. S. Rahman<\/strong> and M.E. Weinert, \u201cFirst Principles Pseudopotential Calculations on Al and Al Alloys,\u201d Proc. Metallurgical Soc. Meeting, 1994.<\/li>\n\n\n\n
    268. N. Chetty, M. Weinert, T. S. Rahman<\/strong>, J.E. Pasciak and J.W. Davenport, \u201cVacancies and Impurities in Aluminum and Magnesium Using Large Supercell Total Energy Calculations,\u201d Phys. Rev. B52<\/strong>, 6313 (1995).<\/li>\n\n\n\n
    269. A. Kara, S. Durukano\u011flu and T. S. Rahman<\/strong>, \u201cLocal Thermodynamics at Metal Surfaces: Cu(711),\u201d Phys. Rev. B53<\/strong>, 15489 (1996).<\/li>\n\n\n\n
    270. Z. Tian and T. S. Rahman<\/strong>, \u201cEnergetics of Stepped Cu Surfaces,\u201d Phys. Rev. B47<\/strong>, 9751 (1993).<\/li>\n\n\n\n
    271. T. S. Rahman<\/strong> and J.E. Black, \u201cDynamics of an Ag Overlayer on Ni(100),\u201d Phys. Rev. B48, 5530 (1993).<\/li>\n\n\n\n
    272. T. S. Rahman<\/strong> and Z. Tian, \u201cAnharmonic Effects at Metal Surfaces,\u201d Jour. Elec. Spectros. Rel. Phenom. 64\/65<\/strong>\/ 651 (1993).<\/li>\n\n\n\n
    273. T. S. Rahman<\/strong>, L. Yang and J. Black, \u201cNearly Incommensurate Ag Overlayer on Ni(100)–A Molecular Dynamics Study,\u201d Surf. Sci. 278<\/strong>, 407 (1992).<\/li>\n\n\n\n
    274. L. Yang and T. S. Rahman<\/strong>, \u201cLattice Dynamics and the Structure of p(2×1)O-Ni(110),\u201d Surf. Sci. 241<\/strong>, 25 (1991).<\/li>\n\n\n\n
    275. L. Yang and T. S. Rahman<\/strong>, \u201cEnhanced Anharmonicity on Cu(110),\u201d Phys. Rev. Lett. 67<\/strong>, 2327 (1991).<\/li>\n\n\n\n
    276. L. Yang, T. S. Rahman<\/strong>, and M.S. Daw, \u201cSurface Vibrations of Ag(100) and Cu(100): A Molecular-Dynamics Study,\u201d Phys. Rev. B44<\/strong>, 13725 (1991).<\/li>\n\n\n\n
    277. K. Yang and T. S. Rahman<\/strong>, \u201cRotational Cooling in Associative Desorption of H2,\u201d Jour. Chem. Phys. 93<\/strong>, 6834 (1990).<\/li>\n\n\n\n
    278. L. Yang, T. S. Rahman<\/strong> and D.L. Mills, \u201cMean Square Displacements of Surface Atoms-Overlayers on Ni(100),\u201d Phys. Rev. B42<\/strong>, 2864 (1990).<\/li>\n\n\n\n
    279. T. S. Rahman<\/strong> and O. L. Weaver, \u201cSelection Rules for Electron Scattering from Surface with Glide Planes,\u201d Surf. Sci. 209<\/strong>, 501 (1989).<\/li>\n\n\n\n
    280. L. Yang and T. S. Rahman<\/strong>, \u201cSurface Phonon Dispersion of Ag(110),\u201d Surf. Sci. 215<\/strong>, 147 (1989).<\/li>\n\n\n\n
    281. L. Yang, T. S. Rahman<\/strong>, G. Bracco and R. Tatarek, \u201cMissing Row Reconstruc\u00adtion of Ag(110) Induced by a p(2×1) Oxygen Overlayer,\u201d Phys. Rev. B40<\/strong>, 12271 (1989).<\/li>\n\n\n\n
    282. J. Harris, T. S. Rahman<\/strong> and K. Yang, \u201cA Mechanism for Vibrational Excitation in Associative Desorption,\u201d Surf. Sci. Lett. 198<\/strong>, L312 (1988).<\/li>\n\n\n\n
    283. T. S. Rahman<\/strong>, \u201cNitrogen Overlayer on Reconstructed Ni(100)\u2011Lattice Dynamics and Surface Phonon Dispersion,\u201d Phys. Rev. B38<\/strong>, 10387 (1988).<\/li>\n\n\n\n
    284. J. Harris, S. Holloway, T. S. Rahman<\/strong>, and K. Yang, \u201cOn the Dynamics of the Associative Desorption of H2,\u201d Jour. Chem. Physics, 89<\/strong>, 4427 (1988).<\/li>\n\n\n\n
    285. T. S. Rahman<\/strong>, \u201cLattice Dynamics of the p4g\u2011c(2×2) Structures: an Application to Reconstructed Ni(100),\u201d Phys. Rev. B35<\/strong>, 9494 (1987).<\/li>\n\n\n\n
    286. M. Rocca, S. Lehwald, H. Ibach and T. S. Rahman<\/strong>, \u201cPhonon Disper\u00adsion of the (2×2) Phase of Carbon on the Reconstructed Ni(100),\u201d Phys. Rev. B35<\/strong>, 9510 (1987).<\/li>\n\n\n\n
    287. K. Kern, R. David, R. L. Palmer, G. Comsa, J. He, and T. S. Rahman<\/strong>, Phys. Rev. Lett. 58<\/strong>, 1050 (1987).<\/li>\n\n\n\n
    288. R. Franchy, M. Wuttig, H. Ibach, T. S. Rahman<\/strong>, and J. He, \u201cSurface Phonon Dispersion of Cu(100)\u2011p(2×2) Sulfur,\u201d Surf. Sci. 187<\/strong>, 58 (1987).<\/li>\n\n\n\n
    289. T. S. Rahman<\/strong>, M. Rocca, S. Lehwald and H. Ibach, \u201cAdsorbate Induced Reconstruction of Ni(100),\u201d in Vibrations at Surfaces IV edited by D. King and S. Holloway, Elsevier, Amsterdam (1986), p. 45.<\/li>\n\n\n\n
    290. S. Lehwald, M. Rocca, H. Ibach, and T. S. Rahman<\/strong>, \u201cSurface Phonon Dispersion of Ordered Overlayers,\u201d in Vibrations at Surfaces IV edited by D. King and S. Holloway, Elsevier, Amsterdam (1986) p. 29.<\/li>\n\n\n\n
    291. H. Ibach, J. E. Muller, and T. S. Rahman<\/strong>, \u201cPhonon Spectroscopy and Surface Reconstruction,\u201d Phil. Trans. Royal Society London A318<\/strong>, 163 (1986).<\/li>\n\n\n\n
    292. K. Kern, R. David, R. L. Palmer, G. Comsa and T. S. Rahman<\/strong>, \u201cSurface Phonon Dispersion of Platinum (111),\u201d Phys. Rev. B33<\/strong> (Rapid Communica\u00adtions), 4334 (1986).<\/li>\n\n\n\n
    293. M. Rocca, S. Lehwald, H. Ibach and T. S. Rahman<\/strong>, \u201cEELS Study of the Dynamics of Clean Ni(100): Surface Phonons and Surface Resonances,\u201d Surf. Sci. 171<\/strong>, 632 (1986).<\/li>\n\n\n\n
    294. T. S. Rahman<\/strong>, Phys. Rev. Letter 56<\/strong>, 537 (1986).<\/li>\n\n\n\n
    295. K. Kern, R. David, R. L. Palmer, G. Comsa and T. S. Rahman<\/strong>, \u201cAdsorbate Induced Rayleigh Phonon gap of p(2×2)O\/Pt(111),\u201d Phys. Rev. Lett. 56<\/strong>, 2064 (1986).<\/li>\n\n\n\n
    296. M. Rocca, H. Ibach, S. Lehwald and T. S. Rahman<\/strong>, \u201cSurface Phonon Dispersion of Surface and Adsorbate Layers,\u201d Topics in Current Physics 41<\/strong>, eds. W. Schommers and P. von Blackenhagen, Springer (1986), p. 245.<\/li>\n\n\n\n
    297. K. Kern, R. David, R. L. Palmer, G. Comsa and T. S. Rahman<\/strong>, \u201cSurface Phonon Dispersion of Clean and Oxygen Covered Pt(111),\u201d Surf. Sci. 178<\/strong>, 537 (1986).<\/li>\n\n\n\n
    298. Jin He and T. S. Rahman<\/strong>, \u201cSurface Phonons of p(2×2) Structures: the Effect of Bond Stretching Interactions,\u201d Phys. Rev. B34<\/strong>, 5017 (1986).<\/li>\n\n\n\n
    299. S. Lehwald, M. Rocca, H. Ibach and T. S. Rahman<\/strong>, \u201cSurface Phonon Dispersion of c(2×2) Sulfur on Ni(100),\u201d Phys. Rev. B31<\/strong>, 3477 (1985).<\/li>\n\n\n\n
    300. T. S. Rahman<\/strong> and H. Ibach, \u201cAdsorbate Induced Soft Phonon Reconstruction of the Ni(100) Surface,\u201d Phys. Rev. Lett. 54<\/strong>, 1933 (1985).<\/li>\n\n\n\n
    301. T. S. Rahman<\/strong>, \u201cLong Wavelength Bulk and Surface Spin Waves in Metallic Superlattices,\u201d in Dynamical Phenomena at Surfaces and Interfaces edited by K. Rieder, R. F. Willis, and F. Nizzoli, Springer (1985), N.Y., p. 327.<\/li>\n\n\n\n
    302. T. S. Rahman<\/strong>, \u201cSurface Lattice Dynamics of Ordered Overlayers on Metals,\u201d in Dynamical Phenomena at Surfaces and Interfaces edited by K. Rieder, R. F. Willis, and F. Nizzoli Springer (1985), N.Y., p. 120.<\/li>\n\n\n\n
    303. T. S. Rahman<\/strong> and H. Ibach, \u201cLattice Dynamics of Adsorbate Induced Reconstruction of Ni(100),\u201d in Proc. of the 2nd Interna\u00adtional Conference on ‘Phonon Physics’ eds J. Kollar, N. Kroo, N. Menyhard, and T. Siklos, World Scientific Pub., Singapore (1985) p. 666.<\/li>\n\n\n\n
    304. H. Ibach, W. Daum, S. Lehwald, M. Rocca, and T. S. Rahman<\/strong>, \u201cStudies of Surface Phonons by Electron Energy Loss Spectroscopy,\u201d in Proc. of the 2nd International Conference on ‘Phonon Physics’ eds. J. Kollar, N. Menyhard, and T. Siklos, World Scientific Publ., Singapore (1985) p. 607.<\/li>\n\n\n\n
    305. T. S. Rahman<\/strong>, D. L. Mills, J. E. Black, J. M. Szeftel, S. Lehwald, and H. Ibach, \u201cSurface Phonons and the c(2×2) Oxygen Overlayers on Ni(100); Theory and Experiment,\u201d Phys. Rev. B30<\/strong>, 589 (1984).<\/li>\n\n\n\n
    306. M. Rocca, S. Lehwald, H. Ibach, and T. S. Rahman<\/strong>, \u201cThe Rayleigh Phonon Dispersion on Clean Ni(100) in the \u2011M Direction,\u201d Surf. Science Lett. 138<\/strong>, L123 (1984).<\/li>\n\n\n\n
    307. H. Ibach and T. S. Rahman<\/strong>, \u201cSurface Phonon Dispersion,\u201d in Chemistry and Physics of Solid Surfaces (edited by R. Vanselow and R. Howe, Springer\u2011Verlag, New York, 1984) p. 455.<\/li>\n\n\n\n
    308. T. S. Rahman<\/strong>, D. L. Mills, and J. E. Black, \u201cSensitivity of Electron Energy Loss Spectra to Adsorption Site: An Ordered Overlayer on the Ni(111) Surface,\u201d Phys. Rev. B27<\/strong>, 4059 (1983).<\/li>\n\n\n\n
    309. J. E. Black, T. S. Rahman<\/strong>, and D. L. Mills, \u201cSpectral Densities in Surface Lattice Dynamics at Large Wave Vector,\u201d Phys. Rev. B27<\/strong>, 4072 (1983).<\/li>\n\n\n\n
    310. R. E. Camley, T. S. Rahman<\/strong>, and D. L. Mills, \u201cMagnetic Excitations in Layered Media: Spin Waves and the Light Scattering Spectrum,\u201d Phys. Rev. B27<\/strong>, 261 (1983).<\/li>\n\n\n\n
    311. S. Lehwald, J. M. Szeftel, H. Ibach, T. S. Rahman<\/strong>, and D. L. Mills \u201cSurface Phonon Dispersion of Clean Ni(100) Measured by Inelastic Electron Scattering,\u201d Phys. Rev. Lett. 50<\/strong>, 518 (1983).<\/li>\n\n\n\n
    312. T. S. Rahman<\/strong>, B. Anton, N. R. Avery, and W. H. Weinberg, \u201cElectron Energy Loss Spectroscopy of Ordered Oxygen Overlayers on Ru(001),\u201d Phys. Rev. Lett. 51<\/strong>, 1979 (1983).<\/li>\n\n\n\n
    313. J. M. Szeftel, S. Lehwald, H. Ibach, T. S. Rahman<\/strong>, J. E. Black, and D.L. Mills, \u201cDispersion of Adsorbate Vibrational Modes: The c(2×2) Oxygen Overlayer on the Ni(100) Surface,\u201d Phys. Rev. Lett. 51<\/strong>, 268 (1983).<\/li>\n\n\n\n
    314. T. S. Rahman<\/strong>, D.L. Mills, and J.E. Black, \u201cLow Frequency Surface Reso\u00adnance Modes in Electron Energy Loss Spectroscopy,\u201d Proceedings of Third International Conference on Vibrations at Surfaces, Asilomar, September 1982, edited by C.R. Brundle and H. Morawitz (Elsevier, Amsterdam, 1983) p. 199.<\/li>\n\n\n\n
    315. T. S. Rahman<\/strong>, J. E. Black, and D. L. Mills, \u201cElectron Energy Loss Spectroscopy and Ordered Adsorbate Layers on the Ni(100) Surface,\u201d Phys. Rev. B25<\/strong>, 883 (1982).<\/li>\n\n\n\n
    316. T. S. Rahman<\/strong> and D. L. Mills, \u201cDipolar Surface Spin Waves in Ferromagnetic Films,\u201d 27th Annual Conference on Magnetism and Magnetic Materials, Atlanta 1981, J. Appl. Phys. 53<\/strong>, 2084 (1982).<\/li>\n\n\n\n
    317. J.E. Black, T. S. Rahman<\/strong>, and D.L. Mills, \u201cElectron Energy Loss Spectros\u00adcopy of Adsorbed Atoms,\u201d J. Vac. Sci. Technol. 20<\/strong>, 567 (1982).<\/li>\n\n\n\n
    318. R. E. Camley, T. S. Rahman<\/strong>, and D. L. Mills, \u201cTheory of Light Scattering from Spin Wave Excitations in Thin Ferromagnetic Films,\u201d Phys. Rev. B23<\/strong>, (1981).<\/li>\n\n\n\n
    319. G. I. Stegeman, A. A. Maradudin, and T. S. Rahman<\/strong>, \u201cRefraction of a Surface Polariton by an Interface,\u201d Phys. Rev. B23<\/strong>, 2576 (1981).<\/li>\n\n\n\n
    320. T. S. Rahman<\/strong>, D. L. Mills, and R. C. Camley, \u201cTheory of Light Scattering from Spin Wave Excitation in thin Ferromagnetic Films,\u201d 26th Annual Conference on Magnetism and Magnetic Materials, Dallas 1980, J. Appl. Phys. 52<\/strong>, 2286 (1981).<\/li>\n\n\n\n
    321. G. I. Stegeman, A. A. Maradudin, and T. S. Rahman<\/strong>, \u201cRefraction of a Surface Polariton by an Interface,\u201d Solid State Comm. 38<\/strong>, 477 (1981).<\/li>\n\n\n\n
    322. T. S. Rahman<\/strong>, D. L. Mills, and P. S. Riseborough, \u201cElectron\u2011Phonon Coupling in Inversion Layers in Polar Materials,\u201d Phys. Rev. B23<\/strong>, 4081 (1981).<\/li>\n\n\n\n
    323. T. S. Rahman<\/strong>, J. E. Black, and D. L. Mills, \u201cElectron Energy Loss Spectroscopy and Oxygen Overlayers on the Ni(100) Surface,\u201d Phys. Rev. Lett. 46<\/strong>, 1469 (1981).<\/li>\n\n\n\n
    324. T. S. Rahman<\/strong> and A. A. Maradudin, \u201cEffect of Surface Roughness on the Image Potential,\u201d Phys. Rev. B21<\/strong>, 504 (1980).<\/li>\n\n\n\n
    325. T. S. Rahman<\/strong> and D. L. Mills, \u201cElectron\u2011Phonon Coupling in Image Potential Bound States,\u201d Phys. Rev. B21<\/strong>, 1432 (1980).<\/li>\n\n\n\n
    326. T. S. Rahman<\/strong> and A. A. Maradudin, \u201cSurface Plasmon Dispersion Relation in the Presence of Surface Roughness,\u201d Phys. Rev. B21<\/strong>, 2137 (1980).<\/li>\n\n\n\n
    327. T. S. Rahman<\/strong> and D. L. Mills, \u201cSpin\u2011wave Renormalization in Exchange and Dipolar Coupled Ferromagnets: Bulk Spin Waves and the Damon\u2011Eshbach Surface Spin Wave,\u201d Phys. Rev. B20<\/strong>, 1173 (1979).<\/li>\n\n\n\n
    328. T. S. Rahman<\/strong>, R. S. Knox, and V. M. Kenkre \u201cTheory of Depolariza\u00adtion of Fluorescence in Molecular Pairs,\u201d Chem. Phys. 44<\/strong>, 197 (1979).<\/li>\n\n\n\n
    329. T. S. Rahman<\/strong>, J. C. Parlebas, and D. L. Mills \u201cThe g\u2011Tensor of d\u2011Holes in Palladium,\u201d J. Phys. F 8<\/strong>, 2511 (1978).<\/li>\n\n\n\n
    330. T. S. Rahman<\/strong>, J. C. Parlebas, and D. L. Mills, \u201cThe Lande g\u2011Tensor for d\u2011Holes in Pd,\u201d 15th International Conference on Low Tempera\u00adture Physics, Grenoble 1978, J.de Physique, C6<\/strong>, 768.<\/li>\n\n\n\n
    331. V. M. Kenkre and T. S. Rahman<\/strong>, \u201cModel Calculations in the Theory of Excitation Transfer,\u201d Physics Letters 50<\/strong>A, 170 (1974).<\/li>\n\n\n\n
    332. T. S. Rahman<\/strong> and R. S. Knox, \u201cTheory of Singlet\u2011Triplet Exciton Fusion,\u201d Phys. Stat. Sol. (b) 58<\/strong>, 715 (1973).<\/li>\n<\/ol>\n","protected":false},"excerpt":{"rendered":"

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