A Density Functional Theory Study of Formaldehyde Adsorption on CeO(2)(111) Surface
点击次数：
第一作者：Jiang, SY
发表时间：2008-01-01
发表刊物：ACTA PHYSICO-CHIMICA SINICA
所属单位：物理化学研究所
文献类型：期刊
卷号：Vol.24
期号：No.11
页面范围：2025-2031
关键字：Ceria;Density;functional;theory;Density;of;states;Formaldehyde;Periodical;slab;model
摘要：Formaldehyde adsorption on CeO(2)(111) surface terminated by bridge O atom was systematically investigated by periodic density functional theory (DFT) with the generalized gradient approximation (GGA) developed by Projector augmented wave (PAW). According
是否译文：否