Open AccessTheoretical study on switching characteristic of photoisomers
Author(s) -
Yingde Li,
Zong-Liang Li,
Jing Leng,
Wei Li,
ChuanKui Wang
Publication year - 2011
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.60.073101
Subject(s) - conductance , molecule , electrode , materials science , chemical physics , adsorption , break junction , molecular electronics , chemistry , condensed matter physics , physics , organic chemistry
The electron transport properties of the single molecular junctions composed of isomers of 4,4-(ethene-1,2-diyl) dibenzoic acid and two gold electrodes are investigated systematically using elastic scattering Green's function method. The conductance characteristics are quite different for the two isomers which can be used to construct molecular switch. Our study shows that the molecules are chemically adsorbed on the gold surface by the terminal carboxyl group. Each molecular junction has three different stable conductances, which correspond to the different contact structures between the molecules and electrodes. The different conductances result mainly from the variation of the electronic structures, caused by the interaction between the molecules and the electrodes. Our theoretical simulation is consistent with the experimental measurement.