Large-scale atomistic simulations of environmental effects on the formation and properties of molecular junctions

ACS Nano

Volumn 6, Issue 3, 2012, Pages 2779-2789

  French, William R ^a   Iacovella, Christopher R ^a   Cummings, Peter T ^a,b  

^a VANDERBILT UNIVERSITY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

benzenedithiol; electron transport; gold nanowire; mechanically controllable break junction; molecular electronics; molecular junction; molecular simulation; molecular wire; single molecule conductance

Indexed keywords

BENZENEDITHIOL; ELECTRON TRANSPORT; GOLD NANOWIRE; MECHANICALLY CONTROLLABLE BREAK JUNCTIONS; MOLECULAR JUNCTION; MOLECULAR SIMULATIONS; MOLECULAR WIRES; SINGLE-MOLECULE;

BENZENE; MOLECULAR ELECTRONICS; MONOLAYERS;

MOLECULES;

1,4 BENZENEDITHIOL; 1,4-BENZENEDITHIOL; BENZENE; THIOL DERIVATIVE;

ARTICLE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS; SURFACE PROPERTY; TEMPERATURE;

BENZENE; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; SULFHYDRYL COMPOUNDS; SURFACE PROPERTIES; TEMPERATURE;

EID: 84859130324     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn300276m     Document Type: Article

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