The role of the defect on the adsorption and dissociation of water on graphitic carbon nitride

Applied Surface Science

Volumn 358, Issue , 2015, Pages 363-369

  Wu, Hong Zhang ^a,b,c   Liu, Li Min ^c   Zhao, Shi Jin ^b  

^a ZHOUKOU NORMAL UNIVERSITY   (China)

^b SHANGHAI UNIVERSITY   (China)

^c BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER   (China)

Author keywords

Adsorption; Density functional theory; Graphitic carbon nitride; Molecular dynamics

Indexed keywords

ADSORPTION; CARBON NITRIDE; DEFECT DENSITY; DIMERS; DISSOCIATION; MOLECULAR DYNAMICS; NITRIDES;

COPLANAR STRUCTURE; DEFECT SITES; GRAPHITIC CARBON NITRIDES; MOLECULAR DYNAMICS CALCULATION; MOLECULAR DYNAMICS SIMULATIONS; THEORETICAL STUDY; WATER LAYERS; WATER SPLITTING;

DENSITY FUNCTIONAL THEORY;

EID: 84938118471     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.06.187     Document Type: Conference Paper

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