Activity versus Selectivity of the Methanol Oxidation at Ceria Surfaces: A Comparative First-Principles Study

Journal of Physical Chemistry C

Volumn 119, Issue 40, 2015, Pages 23021-23031

  Kropp, Thomas ^a   Paier, Joachim ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DEHYDROGENATION; DESORPTION; FORMALDEHYDE; METHANOL; OXIDATION; TEMPERATURE PROGRAMMED DESORPTION;

DEFECT FORMATION ENERGIES; DESORPTION TEMPERATURES; FIRST-PRINCIPLES STUDY; MARS-VAN KREVELEN MECHANISMS; OXIDATIVE DEHYDROGENATIONS; PERIODIC BOUNDARY CONDITIONS; REACTIVITY DESCRIPTORS; TEMPERATURE PROGRAMMED DESORPTION SPECTROSCOPY;

SURFACE DEFECTS;

EID: 84943739260     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b07186     Document Type: Article

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