Ab initio molecular dynamics investigation of the coadsorption of acetaldehyde and hydrogen on a platinum nanocluster

Journal of Physical Chemistry C

Volumn 115, Issue 21, 2011, Pages 10661-10667

  Vargas, Angelo ^a   Santarossa, Gianluca ^a   Baiker, Alfons ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ADSORBED HYDROGEN; ADSORPTION MODES; AMMONIA MOLECULES; AMMONIA NITROGEN; CARBON ATOMS; CARBONYL GROUPS; CARBONYL MOIETY; CO-ADSORPTION; COADSORBED HYDROGEN; DIRECT INTERACTIONS; ELECTRON-DONOR MOLECULES; INTERACTION MODES; METAL ATOMS; METAL PARTICLE; METAL SITES; MOLECULAR ADSORPTION; PICOSECONDS; PLATINUM ATOMS; PLATINUM NANO-CLUSTER; PLATINUM NANOPARTICLES; ROOM TEMPERATURE; SIMULATION BOXES; TIME-SCALES;

ACETALDEHYDE; ADSORPTION; AMMONIA; ATOMS; CARBONYLATION; HYDROGEN; METALS; MOLECULES; NANOCLUSTERS; NANOPARTICLES; ORGANIC COMPOUNDS; PLATINUM;

MOLECULAR DYNAMICS;

EID: 79957820415     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200179g     Document Type: Article

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