Effects of Thermal Fluctuations on the Hydroxylation and Reduction of Ceria Surfaces by Molecular H2

Journal of Physical Chemistry C

Volumn 119, Issue 37, 2015, Pages 21567-21573

  Negreiros, Fabio R ^a   Camellone, Matteo Farnesi ^a   Fabris, Stefano ^a  

^a IOM CNR LABORATORIO TASC   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; CERIUM OXIDE; DENSITY FUNCTIONAL THEORY; DISSOCIATION; FREE ENERGY; HYDROXYLATION; REACTION KINETICS; REDOX REACTIONS;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; ACTIVATION TEMPERATURES; MECHANISM AND KINETICS; MOLECULAR DYNAMICS SIMULATIONS; OXYGEN STORAGE CAPACITY; REACTION THERMODYNAMICS; THERMAL FLUCTUATIONS;

MOLECULAR DYNAMICS;

EID: 84941894381     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b07030     Document Type: Article

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