Density functional theory study of water dissociative chemisorption on the Fe3O4(111) surface

Journal of Physical Chemistry C

Volumn 114, Issue 49, 2010, Pages 21405-21410

  Zhou, Chenggang ^a,b   Zhang, Qingfan ^a   Chen, Lei ^a   Han, Bo ^a   Ni, Gang ^a   Wu, Jinping ^a   Garg, Diwakar ^c   Cheng, Hansong ^a,b  

^a CHINA UNIVERSITY OF GEOSCIENCES   (China)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^c AIR PRODUCTS AND CHEMICALS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ACTIVE SITE; ADSORPTION PATTERNS; DISSOCIATION PATHWAYS; DISSOCIATIVE CHEMISORPTION; HIGH WATER; HYDROXYL GROUPS; ISOTOPE EXCHANGE; PERIODIC DENSITY FUNCTIONAL THEORY; SURFACE HYDROXYL GROUPS; WATER MOLECULE;

ADSORPTION; CHEMISORPTION; DISSOCIATION; ISOTOPES;

DENSITY FUNCTIONAL THEORY;

EID: 78650258194     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp105040v     Document Type: Article

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