Ab initio DFT study of urea adsorption and decomposition on the ZnO (101̄0) surface

Computational and Theoretical Chemistry

Volumn 992, Issue , 2012, Pages 1-8

  Gao, Yangyan ^a,b   Zhao, Ning ^a   Wei, Wei ^a   Sun, Yuhan ^a,c  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c SHANGHAI ADVANCED RESEARCH INSTITUTE   (China)

Author keywords

Adsorption; Decomposition into HNCO and NH 3; Density functional theory (DFT); Urea; ZnO (101 0) surface

Indexed keywords

EID: 84863091390     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.04.022     Document Type: Article

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