Nonequilibrium Green's function study on the electronic structure and transportation behavior of the conjugated molecular junction: Terminal connections and intramolecular connections

Journal of Chemical Physics

Volumn 130, Issue 24, 2009, Pages

  Liu, Hongmei ^a   Ni, Wenbin ^a   Zhao, Jianwei ^a   Wang, Nan ^a   Guo, Yan ^a   Taketsugu, Tetsuya ^b   Kiguchi, Manabu ^b   Murakoshi, Kei ^b  

^a NANJING UNIVERSITY   (China)

^b HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANCHORING GROUPS; AROMATIC RINGS; BENZENE RING; CONJUGATED MOLECULES; DENSITY FUNCTIONAL; ELECTRON TRANSPORT; MOLECULAR JUNCTION; MOLECULAR WIRES; NON EQUILIBRIUM GREEN'S FUNCTION METHOD; NON-EQUILIBRIUM GREEN'S FUNCTION; POLYACENE; QUANTUM INTERFERENCE; SINGLE BOND; SINGLE LINKAGE;

BENZENE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; NAPHTHALENE;

GREEN'S FUNCTION;

BENZENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; ELECTRON; ISOMERISM; QUANTUM THEORY;

BENZENE DERIVATIVES; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; ELECTRONS; ISOMERISM; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 67650493550     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3151682     Document Type: Article

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