First principles study of the structural, electronic, and transport properties of triarylamine-based nanowires

Journal of Chemical Physics

Volumn 140, Issue 7, 2014, Pages

  Akande, Akinlolu ^a   Bhattacharya, Sandip ^a   Cathcart, Thomas ^a   Sanvito, Stefano ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; IONIZATION POTENTIAL; MOLECULAR ORBITALS; MOLECULES; MONTE CARLO METHODS; NANOWIRES;

EFFECTIVE HAMILTONIAN; FIRST-PRINCIPLES STUDY; FRONTIER MOLECULAR ORBITALS; GEOMETRICAL STRUCTURE; INTERMOLECULAR VIBRATIONS; INTERNAL REORGANIZATIONS; SINGLE-MOLECULE PRECURSORS; TRANSPORT CHARACTERISTICS;

TRANSPORT PROPERTIES;

EID: 84898805383     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4864754     Document Type: Article

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