Torsion angle dependence of the rectifying performance in molecular device with asymmetrical anchoring groups

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 374, Issue 48, 2010, Pages 4876-4879

  Wang, L H ^a,b   Guo, Y ^b   Tian, C F ^a,b   Song, X P ^a   Ding, B J ^a,b  

^a XI'AN JIAOTONG UNIVERSITY   (China)

^b SHANXI DATONG UNIVERSITY   (China)

Author keywords

Asymmetrical anchoring group; Density functional theory; Nonequilibrium Green's function; Rectifying performance

Indexed keywords

DIHEDRAL ANGLE; GROUP THEORY; TORSIONAL STRESS;

ANCHORING GROUPS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; INTERMOLECULAR COUPLING; NON-EQUILIBRIUM GREEN'S FUNCTION; NON-EQUILIBRIUM GREEN'S FUNCTION FORMALISM; RECTIFYING BEHAVIORS; RECTIFYING CHARACTERISTICS; RECTIFYING PERFORMANCE;

DENSITY FUNCTIONAL THEORY;

EID: 78049298648     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2010.09.068     Document Type: Article

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