Density functional theory study of selectivity considerations for C-C versus C-O bond scission in glycerol decomposition on Pt(111)

Topics in Catalysis

Volumn 55, Issue 5-6, 2012, Pages 280-289

  Liu, Bin ^a   Greeley, Jeffrey ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Biomass; Density functional theory; Glycerol; Hydrogen production; Pt(111); Reforming; Scaling relationships; Selectivity

Indexed keywords

BOND BREAKING PROCESS; BOND SCISSIONS; BOND-BREAKING; C-C BONDS; CATALYST DESIGNS; CATALYTIC PROCESS; CORRELATION SCHEME; DECARBONYLATIONS; DFT CALCULATION; EFFICIENT STRATEGY; EMPIRICAL CORRELATIONS; KINETIC ANALYSIS; OVERALL RATE; PERIODIC DENSITY FUNCTIONAL THEORY; PLATINUM SURFACE; PT(111); REACTION NETWORK; SCALING RELATIONSHIPS; TRANSITION STATE;

BIOMASS; CATALYST SELECTIVITY; CHEMICAL BONDS; DEHYDROGENATION; GLYCEROL; HYDROGEN PRODUCTION; KINETICS; PLATINUM; REFORMING REACTIONS; THERMOCHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 84866142284     PISSN: 10225528     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11244-012-9806-2     Document Type: Conference Paper

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