First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111)

Nature Communications

Volumn 7, Issue , 2016, Pages

  Zhang, Zhaojun ^a   Liu, Tianhui ^a,b   Fu, Bina ^a   Yang, Xueming ^a,b   Zhang, Dong H ^a,b  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; WATER;

ACCURACY ASSESSMENT; COPPER; MOLECULAR ANALYSIS; NUMERICAL MODEL; POTENTIAL ENERGY; QUANTUM MECHANICS; SORPTION; WATER;

ARTICLE; CHEMICAL PHENOMENA; DISSOCIATION; DISSOCIATIVE CHEMISORPTION; ENERGY; EXCITATION; PROBABILITY; QUANTUM DYNAMICAL THEORY; QUANTUM THEORY; SITE AVERAGING PROBABILITY; SURFACE PROPERTY; TRANSLATIONAL ENERGY; VIBRATION;

EID: 84974628107     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms11953     Document Type: Article

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