Influence of the Contact Geometry and Counterions on the Current Flow and Charge Transfer in Polyoxometalate Molecular Junctions: A Density Functional Theory Study | Zendy

Paul Lapham | Zendy; Laia VilàNadal | Zendy; Leroy Cronin | Zendy; Vihar Georgiev | Zendy

Open Access

Influence 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 Georgiev

Publication year - 2021

Publication title -

the 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) - counterion , polyoxometalate , charge (physics) , density functional theory , transfer (computing) , current (fluid) , flow (mathematics) , chemical physics , current density , materials science , condensed matter physics , nanotechnology , chemistry , computational chemistry , physics , ion , mechanics , thermodynamics , computer science , catalysis , quantum mechanics , organic chemistry , parallel computing , biochemistry

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