An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(1 1 1) in the free energy landscape: The microkinetics study based on first-principles calculations

Catalysis Today

Volumn 165, Issue 1, 2011, Pages 71-79

  Cao, Xiao Ming ^a   Burch, Robbie ^a   Hardacre, Chris ^a   Hu, P ^a  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

, Unsaturated aldehydes; Crotonaldehyde; DFT; Free energy landscape; Microkinetics; Pt(1 1 1); Selective hydrogenation

Indexed keywords

CROTONALDEHYDE; DFT; FREE ENERGY LANDSCAPE; MICROKINETICS; PT(111); SELECTIVE HYDROGENATION; UNSATURATED ALDEHYDES;

ALDEHYDES; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DESORPTION; ENERGY BARRIERS; FREE ENERGY; HYDROGENATION; ORGANIC COMPOUNDS; PLATINUM;

SURFACE REACTIONS;

EID: 79955476026     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2010.12.056     Document Type: Conference Paper

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