First principles study of the electron transport through cis-polyacetylene based molecular wires

Physica B: Condensed Matter

Volumn 406, Issue 20, 2011, Pages 3969-3974

  Yao, Jinhuan ^a   Li, Yanwei ^a,b   Zou, Zhengguang ^a   Yang, Jianwen ^a   Yin, Zhoulan ^b  

^a GUILIN UNIVERSITY OF TECHNOLOGY   (China)

^b CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Electron transport; Molecular electronics; Molecular wires; Nonequilibrium Green s function

Indexed keywords

APPLIED BIAS; BRIDGING GROUPS; CYCLOPENTADIENES; ELECTRON TRANSPORT; FIRST-PRINCIPLES STUDY; FRONTIER MOLECULAR ORBITALS; FRONTIER ORBITALS; GEOMETRIC STRUCTURE; MOLECULAR SYSTEMS; MOLECULAR WIRES; NON EQUILIBRIUM; S FUNCTION; TRANSMISSION SPECTRUMS;

ACETYLENE; AROMATIC COMPOUNDS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; MOLECULAR ELECTRONICS; MOLECULAR MODELING; MOLECULAR ORBITALS; NANOWIRES; NITROGEN COMPOUNDS; OLEFINS; ORGANIC POLLUTANTS; SPATIAL DISTRIBUTION; TRANSPORT PROPERTIES; WIRE;

ELECTRON TRANSPORT PROPERTIES;

EID: 80051795890     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.07.040     Document Type: Article

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