Publication Date:
2014-01-22
Description:
Author(s): Johann Lüder, Biplab Sanyal, Olle Eriksson, Carla Puglia, and Barbara Brena In this paper, we report a systematic study on the effect of different van der Waals dispersion correction methods in conjunction with Density Functional Theory on the adsorption characteristics of a monolayer of metal-free phthalocyanine on Au(111). The chosen dispersion corrections were DFT-D2, th... [Phys. Rev. B 89, 045416] Published Tue Jan 21, 2014
Keywords:
Surface physics, nanoscale physics, low-dimensional systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics