Aqueous redox chemistry and the electronic band structure of liquid water

Journal of Physical Chemistry Letters

Volumn 3, Issue 23, 2012, Pages 3411-3415

  Adriaanse, Christopher ^a   Cheng, Jun ^a   Chau, Vincent ^a,c   Sulpizi, Marialore ^a,d   Vandevondele, Joost ^b,e   Sprik, Michiel ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF ZURICH   (Switzerland)

^c UNIVERSITY OF HONG KONG   (Hong Kong)

^d JOHANNES GUTENBERG UNIVERSITY   (Germany)

^e ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SPECIES; BAND EDGE; CHARGED DEFECTS; DENSITY FUNCTIONALS; ELECTRONIC BAND STRUCTURE; GENERALIZED GRADIENT APPROXIMATIONS; IMPURITY STATE; MOLECULAR DYNAMICS SIMULATIONS; REDOX CHEMISTRY; REDOX POTENTIALS; SOLVENT REORGANIZATION; UNOCCUPIED STATE; WIDE-GAP SOLIDS;

CARBON DIOXIDE; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; REDOX REACTIONS;

CHLORINE;

EID: 84870853149     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz3015293     Document Type: Article

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