A density functional theory study of formaldehyde adsorption and oxidation on CeO<sub>2</sub>(1 1 1) surface
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第一作者：Bo-Tao Teng
发表时间：2010-01-01
发表刊物：Surface Science
所属单位：物理化学研究所
文献类型：期刊
卷号：Vol.604
期号：No.1
页面范围：68-78
ISSN号：0039-6028
关键字：Ceria;Formaldehyde;Density;functional;theory;Bond;rupture;Oxidation;Oxygen;vacancy
摘要：The effects of different oxygen species and vacancies on the adsorption and oxidation of formaldehyde over CeO 2 (1?1?1) surface were systematically investigated by using density functional theory (DFT) method. On the stoichiometric CeO 2 (1?1?1) surface,
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