Open AccessInfluence of the Contact Geometry and Counterions on the Current Flow and Charge Transfer in Polyoxometalate Molecular Junctions: A Density Functional Theory Study
Author(s) -
Paul Lapham,
Laia VilàNadal,
Leroy Cronin,
Vihar P. Georgiev
Publication year - 2021
Publication title -
journal of physical chemistry. c./journal of physical chemistry. c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.0c11038
Subject(s) - polyoxometalate , counterion , charge (physics) , density functional theory , chemical physics , flow (mathematics) , materials science , current (fluid) , transfer (computing) , nanotechnology , chemistry , condensed matter physics , computational chemistry , ion , physics , mechanics , thermodynamics , catalysis , organic chemistry , biochemistry , quantum mechanics , parallel computing , computer science