Oxygen adatoms and vacancies on the (110) surface of CeO2  

作　　者：HUANG JingLu YU YunBo ZHU Jing YU Rong 

机构地区：[1]National Center for Electron Microscopy in Beijing, Key Laboratory of Advanced Materials of Ministry of Education of China, State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China [2]State Key Joint Laboratory of Environment Simulation and Pollution Control, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China [3]Center for Excellence in Regional Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021, China [4]University of Chinese Academy of Sciences, Beijing 100049, China

出　　处：《Science China(Technological Sciences)》2018年第1期135-139,共5页中国科学（技术科学英文版）

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.51525102,51390475,51371102&21673277);National Basic Research Program of China(Grant No.2015CB654902)

摘　　要：The behavior of oxygen on ceria surfaces is closely related with the applications of ceria as a catalyst and oxygen conductor in solid-oxide fuel cells. Here, the atomic configurations of oxygen adatoms and vacancies on the(110) surface of CeO_2 have been studied combining aberration-corrected transmission electron microscopy and first-principles calculations. The oxygen adatoms were estimated to be located on top of Ce atoms with 50% coverage, forming a c(2×2) reconstruction. The oxygen vacancies can form stable configuration, with the Ce atoms partly reduced.The behavior of oxygen on ceria surfaces is closely related with the applications of ceria as a catalyst and oxygen conductor in solid-oxide fuel cells. Here, the atomic configurations of oxygen adatoms and vacancies on the （110） surface of CeO2 have been studied combining aberration-corrected transmission electron microscopy and first-principles calculations. The oxygen adatoms were estimated to be located on top of Ce atoms with 50% coverage, forming a c（2×2） reconstruction. The oxygen vacancies can form stable configuration, with the Ce atoms partly reduced.

关 键 词：surface structure CERIA oxygen adatoms oxygen vacancies aberration-corrected TEM first-principles calculations 

分 类 号：TH0[机械工程]