Sulfur doping effects on the electronic and geometric structures of graphitic carbon nitride photocatalyst: Insights from first principles

Journal of Physics Condensed Matter

Volumn 25, Issue 8, 2013, Pages

  Stolbov, Sergey ^a   Zuluaga, Sebastian ^a  

^a UNIVERSITY OF CENTRAL FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO THERMODYNAMICS; BACK DONATION; BAND GAP WIDTH; EXCITED ELECTRONIC STATE; FIRST-PRINCIPLES STUDY; GEOMETRIC STRUCTURE; GRAPHITIC CARBON NITRIDES; GW METHOD; KINETIC ANALYSIS; LOCAL DENSITY OF STATE; PHOTOCATALYTIC PROPERTY; SULFUR DOPING; UNDOPED SYSTEMS;

ELECTRONIC STATES; ELECTRONIC STRUCTURE; EXPERIMENTS; GEOMETRY; NITRIDES; PHOTOCATALYSIS; THERMODYNAMICS;

SULFUR;

CYANOGEN; GRAPHITE; NITRILE; SULFUR;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; ELECTRON; KINETICS; PHOTOCHEMISTRY; THERMODYNAMICS;

CATALYSIS; ELECTRONS; GRAPHITE; KINETICS; MODELS, CHEMICAL; NITRILES; PHOTOCHEMICAL PROCESSES; SULFUR; THERMODYNAMICS;

MLCS; MLOWN;

EID: 84873300910     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/8/085507     Document Type: Article

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