文献类型：期刊文献

英文题名：The effect of grain boundary on the visible light absorption of BaTi1-x[Ni1/2Nb1/2]xO3-δ ferroelectric ceramics

作者：Lou, Qiwei Zeng, Jiangtao Man, Zhenyong Zheng, Liaoying Park, Chulhong Kassiba, Abdelhadi Liu, Yun Chen, Xiaoming Li, Guorong

第一作者：Lou, Qiwei

通信作者：Li, Guorong

机构：[1] Key Laboratory of Inorganic Functional Materials and Devices, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, China; [2] University of Chinese Academy of Sciences, Beijing, China; [3] Department of Physics Education, Pusan National University, Pusan, Korea, Republic of; [4] Institute of Molecules and Materials, UMR6283-CNRS, Le Mans University, Le Mans, France; [5] Research School of Chemistry, The Australian National University, Acton, ACT, Australia; [6] School of Materials and Metallurgical Engineering, Guizhou Institute of Technology, Guiyang, China

第一机构：Key Laboratory of Inorganic Functional Materials and Devices, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, China

年份：2019

卷号：102

期号：12

起止页码：7405-7413

外文期刊名：Journal of the American Ceramic Society

收录：EI(收录号：20192707124116);Scopus(收录号：2-s2.0-85068040018)

基金：Projects supported by the National Key R&D Program of China (Grant Nos. 2016YFB0402701, 2016YFA0201103), the National Basic Research Program of China under Grant (Grant No. 2015CB654605), National Nature Science Foundation of China (Grant Nos. 51672293, 51831010), the Instrument Developing Project of Chinese Academy of Sciences (Grant No. ZDKYYQ20180004), Chinese Academy of Sciences President's International Fellowship Initiative (Grant Nos. 2017VMA0018 and 2011T2G03), A.K, L.Z and G.L are thankful to the mobility support of bilateral French-Chinese program CAI-YUANPEI 2018-2020.

语种：英文

外文关键词：Absorption - Barium titanate - Calculations - Defects - Domain walls - Energy gap - Ferroelectric ceramics - Ferroelectricity - Grain boundaries - Light - Light absorption - Nickel compounds - Niobium compounds - Oxygen vacancies - Powders - Solid state reactions

摘要：(Ni2+, Nb5+) co-doped BaTiO3 ceramics BaTi1-x(Ni1/2Nb1/2)xO3-δ (BTNN-100x) are prepared by a solid-state reaction method, and their electrical and light absorption properties are investigated. The results show that BTNN-100x can generate oxygen vacancies which pin the domain walls. BTNN-100x bulk ceramics show strong visible light absorption. However, the phenomenon of visible light absorption disappear for BTNN-100x ceramic powders, and the band gap of doped ceramic powders are nearly unchanged. The experiments demonstrate that stress and density have little effect on the band gap. And the grain boundary shows stronger cathodoluminescence (CL) emission. Actually, oxygen vacancies can be enriched at grain boundaries, and defect [Vo-NiTi-Vo] complex structures can be form and give rise to the visible light absorption as demonstrated by First-principles calculations. Thus, the engineering design of ferroelectric grain boundaries may pave the way for the application of coupled ferroelectric-photovoltaic processes. ? 2019 The American Ceramic Society