Theoretical analysis of the sequential proton-coupled electron transfer mechanisms for H2 oxidation and production pathways catalyzed by nickel molecular electrocatalysts

Journal of Physical Chemistry C

Volumn 116, Issue 4, 2012, Pages 3171-3180

  Fernandez, Laura E ^a   Horvath, Samantha ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC OXIDATION; ELECTROCATALYSTS; ELECTROLYSIS; ELECTRON TRANSITIONS; ENERGY BARRIERS; FREE ENERGY; HYDROGEN PRODUCTION; NICKEL COMPOUNDS; OXIDATION; PROTON TRANSFER; REDUCTION;

ALTERNATIVE ENERGY SOURCE; CONCERTED MECHANISM; PRODUCTION PATHWAYS; PROTON COUPLED ELECTRON TRANSFERS; REDUCTION POTENTIAL; REORGANIZATION ENERGIES; SEQUENTIAL MECHANISM; THEORETICAL METHODS;

DENSITY FUNCTIONAL THEORY;

EID: 84856555685     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp210690q     Document Type: Review

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