Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model

Journal of Physical Chemistry Letters

Volumn 7, Issue 8, 2016, Pages 1471-1477

  Goodpaster, Jason D ^a   Bell, Alexis T ^b   Head Gordon, Martin ^b  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CHEMICAL BONDS; COMPUTATION THEORY; COPPER; COVALENT BONDS; DENSITY FUNCTIONAL THEORY; ELECTROLYTES; ELECTROLYTIC REDUCTION; ETHYLENE; FERMI LEVEL; SURFACE REACTIONS;

ELECTROCHEMICAL MODELING; ELECTROCHEMICAL POTENTIAL; ELECTROCHEMICAL REACTIONS; ELECTROCHEMICAL REDUCTIONS; ELECTROLYTE COMPOSITIONS; KOHN-SHAM DENSITY-FUNCTIONAL THEORY; MICROKINETIC MODELING; POTENTIAL OF ZERO CHARGE;

REDUCTION;

EID: 84967315947     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.6b00358     Document Type: Article

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