Electronic and Photocatalytic Properties of Ag3PC4VI (C = O, S, Se): A Systemic Hybrid DFT Study

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Bibliographic Details
Published inJournal of physical chemistry. C Vol. 116; no. 47; pp. 25074 - 25080
Main Authors ZUJU MA, ZHIGUO YI, JING SUN, KECHEN WU
Format Journal Article
LanguageEnglish
Published Columbus, OH American Chemical Society 29.11.2012
Subjects
Catalysis
Catalysts: preparations and properties
Chemistry
Electrochemistry
Electrodes: preparations and properties
Exact sciences and technology
General and physical chemistry
Physical chemistry of induced reactions (with radiations, particles and ultrasonics)
Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
Charge density
Density of states
Electronic properties
Photocatalysis
Theoretical study
Density functional method
Orthorhombic lattices
Visible spectrum
Electrode material
Quantum yield
Catalyst
Photoelectrode
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ISSN:1932-7447
1932-7455
DOI:10.1021/jp3093447