DFT Analysis of NO Oxidation Intermediates on Undoped and Doped LaCoO3 Perovskite

Journal of Physical Chemistry C

Volumn 119, Issue 35, 2015, Pages 20488-20494

  Penninger, Michael W ^a   Kim, Chang Hwan ^b,d   Thompson, Levi T ^c   Schneider, William F ^a  

^a University of Notre Dame   (United States)

^b GENERAL MOTORS CORPORATION   (United States)

^c UNIVERSITY OF MICHIGAN   (United States)

^d RandD Division   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FREE ENERGY; MAGNESIA; NITROGEN OXIDES; OXIDATION; PEROVSKITE; PLATINUM COMPOUNDS; REACTION INTERMEDIATES; RUTHENIUM COMPOUNDS; STRONTIUM; SURFACE REACTIONS;

FIRST PRINCIPLES; LACOO3 PEROVSKITE; REACTION PATHWAYS; RELATIVE FREE ENERGY; SR SUBSTITUTIONS; SURFACE FREE ENERGY; SURFACE SPECIES; THERMODYNAMIC MODEL;

LANTHANUM COMPOUNDS;

EID: 84940824480     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b06351     Document Type: Article

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