Aqueous transition-metal cations as impurities in a wide gap oxide: The Cu2+/Cu+ and Ag2+/Ag+ redox couples revisited

Journal of Physical Chemistry B

Volumn 119, Issue 3, 2015, Pages 1152-1163

  Liu, Xiandong ^a,b   Cheng, Jun ^a,c   Sprik, Michiel ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b NANJING UNIVERSITY   (China)

^c UNIVERSITY OF ABERDEEN   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; ELECTRONIC STATES; ENERGY GAP; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; MOLECULES; REACTION KINETICS; REDOX REACTIONS; SOLVENTS; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

CONDENSED PHASE MODEL SYSTEMS; COORDINATION SHELLS; DENSITY FUNCTIONAL APPROXIMATIONS; ELECTRONIC INTERACTIONS; GENERALIZED GRADIENT APPROXIMATIONS; HARTREE-FOCK EXCHANGES; OXIDATION REACTIONS; TRANSITION METAL CATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84921521917     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp506691h     Document Type: Article

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