A density functional theory study of formaldehyde adsorption and oxidation on CeO2(1 1 1) surface

Surface Science

Volumn 604, Issue 1, 2010, Pages 68-78

  Teng, Bo Tao ^a   Jiang, Shi Yu ^a   Yang, Zong Xian ^b   Luo, Meng Fei ^a   Lan, You Zhao ^a  

^a ZHEJIANG NORMAL UNIVERSITY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

Author keywords

Bond rupture; Ceria; Density functional theory; Formaldehyde; Oxidation; Oxygen vacancy

Indexed keywords

A-DENSITY; BOND RUPTURE; C-H BOND; DENSITY FUNCTIONAL THEORY METHODS; FORMALDEHYDE OXIDATION; LOW ENERGIES; OXYGEN SPECIES;

ADSORPTION; CERIUM COMPOUNDS; CHEMISORPTION; DESORPTION; ENERGY BARRIERS; FORMALDEHYDE; OXIDATION; OXYGEN; OXYGEN VACANCIES; VACANCIES;

DENSITY FUNCTIONAL THEORY;

EID: 70450031622     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.10.024     Document Type: Article

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