Activation of Ultrathin Oxide Films for Chemical Reaction by Interface Defects

被引：37
作者：
Jung, Jaehoon [1 ,2 ]
Shin, Hyung-Joon [1 ]
Kim, Yousoo [1 ]
Kawai, Maki [2 ]
机构：
[1] RIKEN Adv Sci Inst, Wako, Saitama 3510198, Japan
[2] Univ Tokyo, Dept Adv Mat Sci, Chiba 2778561, Japan
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2011年 / 133卷 / 16期
关键词：
NO2; ADSORPTION; THIN-FILMS; WATER; CO; DISSOCIATION; THICKNESS; CATALYSIS; OXIDATION; STATE;
D O I：
10.1021/ja200854g
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Periodic density functional theory calculations revealed strong enhancement of chemical reactivity by defects located at the oxide-metal interface for water dissociation on ultrathin MgO films deposited on Ag(100) substrate. Accumulation of charge density at the oxide-metal interface due to irregular interface defects influences the chemical reactivity of MgO films by changing the charge distribution at the oxide surface. Our results reveal the importance of buried interface defects in controlling chemical reactions on an ultrathin oxide film supported by a metal substrate.
引用
收藏
页码：6142 / 6145
页数：4
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