Electronic Properties of Pure and Fe-Doped β-Ni(OH)2: New Insights Using Density Functional Theory with a Cluster Approach

Journal of Physical Chemistry C

Volumn 120, Issue 23, 2016, Pages 12344-12350

  Butera, Valeria ^a   Toroker, Maytal Caspary ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; CATALYTIC OXIDATION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; NICKEL; SEMICONDUCTOR DOPING;

BAND EDGE STATE; CLUSTER APPROACH; ELECTRON-HOLE RECOMBINATION; ELECTRONIC EFFECTS; HIGH MOBILITY; OVERALL EFFICIENCY; UNOCCUPIED STATE; WATER OXIDATION;

DENSITY FUNCTIONAL THEORY;

EID: 84975504194     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b01501     Document Type: Article

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