Role of vdW in the tilted binding of amine molecules to Au(111)
We show that the inclusion of van der Waals interactions between the isolated molecule (3 amine molecules) and the Au(111) surface leads to good agreement with experimental data on the binding energies. Each molecule adsorbs with a small tilt angle. For the case of 1,4-diaminobenzene (BDA) our calculations reproduce the larger tilt angle measured by … Read more