A-site Cation Defects(Ba_(0.5)Sr_(0.5))_(1-x)Co_(0.8)Fe_(0.2)O_(3-δ)Perovskites as Active Oxygen Evolution Reaction Catalyst in Alkaline Electrolyte  

作　　者：Lulu Tang Yifei Rao Lianwei Wei Hui Zheng Huimin Liu Wenhua Zhang Kaibin Tang 

机构地区：[1]Department of Chemistry,University of Science and Technology of China,Hefei,Anhui 230026,China [2]CAS Key Laboratory of Materials for Energy Conversion,Department of Material Science and Technology,University of Science and Technology of China,Hefei,Anhui,230026 China [3]Hefei National Laboratory for Physical Sciences at the Microscale,University of Science and Technology of China,Hefei,Anhui,230026 China [4]Dedicated to Professor Yitai Qian on the Occasion of His 80th Birthday

出　　处：《Chinese Journal of Chemistry》2021年第10期2692-2698,共7页中国化学（英文版）

基　　金：supported by the National Natural Science Foundation of China(No.21671182);the Fundamental Research Funds for the Central Universities(WK3430000005));The calculations were performed on the supercomputing center of the University of Science and Technology of China(USTC-SCC).

摘　　要：Main observation and conclusion Perovskites(Ba_(0.5)Sr_(0.5))_(1-x)Co_(0.8)Fe_(0.2)O_(3-δ)(x=0.02,0.05,0.1 denoted as BSCF-0.98,BSCF-0.95,BSCF-0.9,respectively)with A-site cation defects are synthesized by simple and efficient sol-gel method and are proved to have better OER catalytic effect than the well-known(Ba_(0.5)Sr_(0.5))_(1-x)Co_(0.8)Fe_(0.2)O_(3-δ)(BSCF)oxides.BSCF-0.95 exhibits the best OER catalytic activity in the series perovskite.The current density of BSCF-0.95 is about 56%higher than that of BSCF oxide at a potential of 1.7 V.The experimental studies have shown that compared with BSCF,BSCF-0.95 oxide has a larger electrochemical surface area(ECSA),a higher content of O_(2)^(2–)species related to surface oxygen vacancies,and faster charge transfer rate,which may be the factors for the enhancement of OER activity.The theoretical calculation results prove that the center positions of the O 2p-band of perovskite with A-site cation defects are closer to the Fermi level than BSCF oxide,which agrees with the OER performance trend of the material.

关 键 词：Perovskite phases Oxygen evolution reaction ELECTROCHEMISTRY A-site cation defects 

分 类 号：TM911.4[电气工程—电力电子与电力传动] O643.36[理学—物理化学]