Open AccessElectronic transport in metal-molecular nanoelectronic networks: A density functional theory study
Author(s) -
Anusha Venkataraman,
Po Zhang,
Chris Papadopoulos
Publication year - 2019
Publication title -
aip advances
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.5087413
Subject(s) - delocalized electron , molecular orbital , homo/lumo , density functional theory , molecular electronics , fermi level , fermi energy , molecular physics , materials science , orbital overlap , atomic orbital , band gap , chemical physics , atomic physics , physics , chemistry , molecule , condensed matter physics , electron , computational chemistry , quantum mechanics
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