DFT+U study of molecular and dissociative Water adsorptions on the Fe 3O4(110) surface

Journal of Physical Chemistry C

Volumn 117, Issue 15, 2013, Pages 7648-7655

  Yu, Xiaohu ^a   Li, Yanni ^a   Li, Yong Wang ^a   Wang, Jianguo ^a   Jiao, Haijun ^a,b  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION MECHANISM; DISSOCIATIVE ADSORPTION; DISSOCIATIVE WATER ADSORPTION; PERIODIC SUPERCELL MODEL; PROJECTED DENSITY OF STATE; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; STEPWISE ADSORPTION;

DENSITY FUNCTIONAL THEORY; DISSOCIATION; HYDROGEN BONDS; MOLECULES; MONOLAYERS;

ADSORPTION;

EID: 84876539798     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp400349c     Document Type: Article

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