DFT study on H2O activation by stepped and planar Rh surfaces

Surface Science

Volumn 603, Issue 22, 2009, Pages 3275-3281

  van Grootel, Pieter W ^a   Hensen, Emiel J M ^a   van Santen, Rutger A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Computational Chemistry; Density functional calculations; Oxygen promotion; Rhodium; Stepped surface; Water

Indexed keywords

ADSORBED OXYGEN; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL CALCULATIONS; DFT STUDY; STEP EDGE; STEPPED SURFACE; SURFACE ATOMS; WATER ACTIVATION;

ACTIVATION ENERGY; HYDROGEN; OXYGEN; PROBABILITY DENSITY FUNCTION; RHODIUM;

DENSITY FUNCTIONAL THEORY;

EID: 70350507336     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.09.013     Document Type: Article

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