Thermopower of amine-gold-linked aromatic molecular junctions from first principles

ACS Nano

Volumn 5, Issue 1, 2011, Pages 551-557

  Quek, Su Ying ^a   Choi, Hyoung Joon ^b   Louie, Steven G ^a,c   Neaton, Jeffrey B ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b Yonsei University   (South Korea)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

First principles; Molecular junctions; Thermopower

Indexed keywords

DFT CALCULATION; ELECTRICAL CONDUCTANCE; ELECTRONIC LEVELS; FIRST-PRINCIPLES; G-VALUES; MOLECULAR JUNCTION; QUANTITATIVE AGREEMENT; SELF ENERGY; SELF-ENERGY CORRECTIONS; SINGLE-MOLECULE JUNCTIONS; THERMOPOWERS;

DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTANCE; EXPERIMENTS; ORGANIC COMPOUNDS;

THERMOELECTRIC POWER;

EID: 79958834111     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn102604g     Document Type: Article

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