Role of hydroxyl groups for the O2 adsorption on CeO2 surface: A DFT + U study

Chemical Physics Letters

Volumn 493, Issue 4-6, 2010, Pages 269-272

  Chen, Hui Lung ^a   Chen, Hsin Tsung ^b  

^a CHINESE CULTURE UNIVERSITY   (Taiwan)

^b NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

CO OXIDATION; HYDROXYL GROUPS; OH GROUP; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; SUPEROXIDES;

ADSORPTION; CERIUM; CERIUM COMPOUNDS; OXIDATION; OXYGEN;

DENSITY FUNCTIONAL THEORY;

EID: 77954217844     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.05.053     Document Type: Article

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