文献类型：期刊文献

英文题名：Cooperative Modulation of Electronic Structures of Aromatic Molecules Coupled to Multiple Metal Contacts

作者：Wang, Weihua[1];Shi, Xingqiang[2,3];Wang, Shiyong[1];Liu, Jun[4,5];Van Hove, Michel A.[2,3];Liu, Pei Nian[4,5];Zhang, Rui-Qin[6];Lin, Nian[1]

机构：[1]Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, Peoples R China;[2]Hong Kong Baptist Univ, Inst Computat & Theoret Studies, Hong Kong, Hong Kong, Peoples R China;[3]Hong Kong Baptist Univ, Dept Phys, Hong Kong, Hong Kong, Peoples R China;[4]E China Univ Sci & Technol, Shanghai Key Lab Funct Mat Chem, Shanghai 200237, Peoples R China;[5]E China Univ Sci & Technol, Inst Fine Chem, Shanghai 200237, Peoples R China;[6]City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China

年份：2013

卷号：110

期号：4

外文期刊名：PHYSICAL REVIEW LETTERS

收录：;EI(收录号：20130515978705);WOS:【SCI-EXPANDED(收录号:WOS:000313952000014)】；

基金：This work is supported in part by Hong Kong RGC GRF603611, the Strategic Development Fund of Hong Kong Baptist University, and by the High Performance Cluster Computing Centre, Hong Kong Baptist University, which receives funding from the RGC and UGC of Hong Kong and Hong Kong Baptist University. W. W. and X. S. contributed equally to this work.

语种：英文

外文关键词：Scanning tunneling microscopy - Modulation - Density functional theory - Electronic structure - Aromatic compounds - Electronic states

摘要：We use cryogenic scanning tunneling microscopy and spectroscopy and density-functional theory calculations to inspect the modulation of electronic states of aromatic molecules. The molecules are self-assembled on a Cu(111) surface forming molecular networks in which the molecules are in different contact configurations, including laterally coupled to different numbers of coordination bonds and vertically adsorbed at different heights above the substrate. We quantitatively analyze the molecular states and find that a delocalized empty molecular state is modulated by these multiple contacts in a cooperative manner: its energy is down shifted by similar to 0.16 eV for each additional lateral contact and by similar to 0.1 eV as the vertical molecule-surface distance is reduced by 0.1 angstrom in the physisorption regime. We also report that in a molecule-metal-molecule system the bridging metal can mediate the electronic states of the two molecules. DOI: 10.1103/PhysRevLett.110.046802