Electronic structure of pyridine-based SAMs on flat Au(111) surfaces: extended charge rearrangements and Fermi level pinning†
Abstract
Density functional theory calculations are used to investigate the electronic structure of
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* Corresponding authors
a Key Laboratory of Organic Solids, Beijing National Laboratory for Molecular Sciences (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, 100190 Beijing, People's Republic of China
b
Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria
E-mail:
egbert.zojer@tugraz.at
c Insitut für Physik, Humboldt-Universität zu Berlin, Brook-Taylor-Strasse 6, 12489 Berlin, Germany
d
Department of Chemistry, Tsinghua University, 100084 Beijing, People's Republic of China
E-mail:
zgshuai@tsinghua.edu.cn
Density functional theory calculations are used to investigate the electronic structure of
Z. Ma, F. Rissner, L. Wang, G. Heimel, Q. Li, Z. Shuai and E. Zojer, Phys. Chem. Chem. Phys., 2011, 13, 9747 DOI: 10.1039/C0CP02168G
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