First-principles calculations of propane dehydrogenation over PtSn catalysts

ACS Catalysis

Volumn 2, Issue 6, 2012, Pages 1247-1258

  Yang, Ming Lei ^a   Zhu, Yi An ^a   Zhou, Xing Gui ^a   Sui, Zhi Jun ^a   Chen, De ^b  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

dehydrogenation; propane; propylene; PtSn; selectivity

Indexed keywords

ADSORPTION ENERGIES; BONDING STRENGTH; BULK ALLOYS; D-BAND CENTERS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DOMINANT FACTOR; FIRST-PRINCIPLES CALCULATION; MOLAR RATIO; PROPANE DEHYDROGENATION; PROPYLENE PRODUCTION; PT CATALYSTS; PTSN; PTSN CATALYSTS; SURFACE ALLOYS; SURFACE DEFORMATION;

ACTIVATION ENERGY; ADSORPTION; BINDING ENERGY; CALCULATIONS; CATALYST ACTIVITY; CATALYST SELECTIVITY; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; DESORPTION; PLATINUM; PLATINUM ALLOYS; PROPANE; TIN; TIN ALLOYS;

PROPYLENE;

EID: 84861824431     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs300031d     Document Type: Article

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