H-Implanted Pd Icosahedra for Oxygen Reduction Catalysis: From Calculation to Practice  

作　　者：Lingzheng Bu Xiaorong Zhu Yiming Zhu Chen Cheng Yafei Li Qi Shao Liang Zhang Xiaoqing Huang 

机构地区：[1]College of Chemistry,Chemical Engineering and Materials Science,Soochow University,Suzhou,Jiangsu 215123 [2]State Key Laboratory of Physical Chemistry of Solid Surfaces,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen 361005 [3]Jiangsu Collaborative Innovation Centre of Biomedical Functional Materials,Jiangsu Key Laboratory of New Power Batteries,School of Chemistry and Materials Science,Nanjing Normal University,Jiangsu 210023 [4]Institute of Functional Nano&Soft Materials(FUNSOM),Jiangsu Key Laboratory for Carbon-Based Functional Materials&Devices,Joint International Research Laboratory of Carbon-Based Functional Materials and Devices,Soochow University,Jiangsu 215123

出　　处：《CCS Chemistry》2021年第8期1972-1982,共11页中国化学会会刊（英文）

基　　金：supported by the Ministry of Science and Technology of China(2016YFA0204100 and 2017YFA0208200);the National Natural Science Foundation of China(21571135);Young Thousand Talented Program,the Special Funded Project of China Postdoctoral Science Foundation(2019T120453);Jiangsu Province Natural Science Fund for Distinguished Young Scholars(BK20170003);the project of scientific and technologic infrastructure of Suzhou(SZS201708),the Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD);the start-up supports from Xiamen University.

摘　　要：Although palladium(Pd)has gradually emerged as the most likely candidate to replace platinum(Pt)in the oxygen reduction reaction(ORR),the specific electronic structure of conventional Pd results in too strong Pd–O binding strength and unsatisfactory ORR performance.Herein,guided by density functional theory,we have explored a strategy to expand lattice spacing by implanting hydrogen(H)atoms in Pd nanocrystals(NCs),which realizes decreased electron density to boost ORR.

关 键 词：H-implanting PALLADIUM ICOSAHEDRON non-platinum oxygen reduction catalysis 

分 类 号：O64[理学—物理化学]