A computational study on the photoelectric properties of various Bi2O3 polymorphs as visible-light driven photocatalysts

Journal of Molecular Modeling

Volumn 20, Issue 11, 2014, Pages 1-6

  Wang, Fang ^a   Cao, Kun ^a   Zhang, Qian ^a   Gong, Xuedong ^b   Zhou, Ying ^a  

^a SOUTHWEST PETROLEUM UNIVERSITY   (China)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Bismuth oxide; Electronic structure; First principle calculation; Optical property

Indexed keywords

BISMUTH; OXYGEN; BISMUTH OXIDE;

ABSORPTION SPECTROSCOPY; ARTICLE; CONDUCTANCE; CRYSTAL STRUCTURE; DENSITY; DIELECTRIC CONSTANT; ELECTRODE; ELECTRON; ELECTRON ENERGY LOSS SPECTROSCOPY; ENERGY; FAST ELECTRON RADIATION; LIGHT; OPTICS; PHOTOCATALYSIS; PHOTON; SEMICONDUCTOR; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CRYSTALLIZATION; ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; ENERGY TRANSFER; PHOTOCHEMISTRY; RADIATION RESPONSE; STRUCTURE ACTIVITY RELATION;

BISMUTH; CATALYSIS; COMPUTER SIMULATION; CRYSTALLIZATION; DIELECTRIC SPECTROSCOPY; ELECTRONS; ENERGY TRANSFER; LIGHT; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; OPTICS AND PHOTONICS; PHOTOCHEMICAL PROCESSES; SEMICONDUCTORS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84912139165     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2506-z     Document Type: Article

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