Beilstein J. Nanotechnol.2019,10, 706–717, doi:10.3762/bjnano.10.70
molecule–surface charge transfer, analyzed for different geometric configurations allows us to propose qualitative models, relevant for the understanding of the self-assembly processes and related phenomena.
Keywords: Ag(111) surface; DFT+U; metalporphyrine; van der Waals; Introduction
Metalloporphyrins
PDF
Figure 1:
Graphic representation of the molecule–surface distances for all chemical species in TMPP. The imag...