Computational investigation of CO adsorption and oxidation on iron-modified cerium oxide

Journal of Physical Chemistry C

Volumn 115, Issue 30, 2011, Pages 14745-14753

  Chen, Hsin Tsung ^a   Chang, Jee Gong ^b  

^a CHUNG YUAN CHRISTIAN UNIVERSITY   (Taiwan)

^b NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC CYCLES; CERIUM OXIDES; CHARGE ANALYSIS; CLEAN SURFACES; CO ADSORPTION; CO OXIDATION; COMPUTATIONAL INVESTIGATION; FE ADATOM; FE-DOPED; FE-IONS; HUBBARD; MULTIPLE OXIDATION; OXIDATION OF CO; OXIDATION STATE; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; PHYSISORBED; POSITIVELY CHARGED; SURFACE REGION; VACANCY FORMATION;

ACTIVATION ENERGY; ADATOMS; ADSORPTION; CARBON DIOXIDE; CATALYST REGENERATION; CERIUM; CERIUM COMPOUNDS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; DESORPTION; DOPING (ADDITIVES); IONS; IRON COMPOUNDS; OXIDATION; OXYGEN; OXYGEN VACANCIES; POINT DEFECTS;

CATALYTIC OXIDATION;

EID: 79961077418     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp201231d     Document Type: Article

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