The effect of environment on the reaction of water on the ceria(111) surface: A DFT+U study

Journal of Physical Chemistry C

Volumn 114, Issue 35, 2010, Pages 14891-14899

  Yang, Zongxian ^a,b   Wang, Qinggao ^a   Wei, Shuyi ^a   Ma, Dongwei ^a   Sun, Qiang ^c  

^a HENAN NORMAL UNIVERSITY   (China)

^b Henan Key Laboratory of Photovoltaic Materials   (China)

^c ZHENGZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AMBIENT CONDITIONS; ATOMISTIC THERMODYNAMICS; DISSOCIATIVE ADSORPTION; FIRST-PRINCIPLES; GASPHASE; MOLECULAR ADSORPTION; SURFACE HYDROXYL; SURFACE PROCESS; THERMODYNAMICS DATA; WATER ADSORPTION; WATER MOLECULE;

ADSORPTION; CERIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; MOLECULES; OXYGEN; OXYGEN VACANCIES; PHASE DIAGRAMS; THERMODYNAMICS;

WATER VAPOR;

EID: 77956961057     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp101057a     Document Type: Article

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