First principle investigation of halogen-doped monolayer g-C3N4 photocatalyst

Applied Catalysis B: Environmental

Volumn 207, Issue , 2017, Pages 27-34

  Zhu, Bicheng ^a   Zhang, Jinfeng ^a   Jiang, Chuanjia ^a   Cheng, Bei ^a   Yu, Jiaguo ^a,b  

^a WUHAN UNIVERSITY OF TECHNOLOGY   (China)

^b KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

Density functional theory; Doping; g C3N4; Halogen; Photocatalysis

Indexed keywords

ATOMS; BROMINE; CHEMICAL BONDS; COMPUTATION THEORY; DOPING (ADDITIVES); ELECTRONEGATIVITY; ELECTRONIC STRUCTURE; ENERGY GAP; LIGHT ABSORPTION; MOLECULAR ORBITALS; MONOLAYERS; OPTICAL PROPERTIES; PHOTOCATALYSIS; PHOTOCATALYSTS;

ELECTRONIC AND OPTICAL PROPERTIES; G-C3N4; HALOGEN; HIGH PHOTOCATALYTIC ACTIVITIES; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; PHOTOCATALYTIC ACTIVITIES; PHOTOCATALYTIC PERFORMANCE;

DENSITY FUNCTIONAL THEORY;

EID: 85012172833     PISSN: 09263373     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcatb.2017.02.020     Document Type: Article

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