The surface chemistry of water on Fe(100): A density functional theory study

ChemPhysChem

Volumn 13, Issue 6, 2012, Pages 1583-1590

  Govender, Ashriti ^a,b   Curulla Ferré, Daniel ^a   Niemantsverdriet, J W ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b SASOL TECHNOLOGY PTY LTD   (South Africa)

Author keywords

adsorption; density functional calculations; hydrogenation; surface chemistry; water chemistry

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; ATOMS; DISSOCIATION; HYDROGEN; HYDROGENATION; IRON; OXYGEN; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SURFACE CHEMISTRY;

ACTIVATED PROCESS; ADSORPTION ENERGIES; ADSORPTION MODES; DENSITY FUNCTIONAL THEORY STUDIES; DISPROPORTIONATIONS; HYDROGEN ADDITION; WATER CHEMISTRY; ZERO-COVERAGE LIMIT;

DENSITY FUNCTIONAL THEORY;

EID: 84859911956     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100732     Document Type: Article

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