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您的检索式：作者名="Jiangbin Deng"
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| 1 | Accelerated discovery of novel high-performance zinc-ion battery cathode materials by combining high-throughput screening and experiments显示文摘Aqueous zinc ion batteries(AZIBs)have attracted much attention in recent years due to their high safety,low cost,and decent electrochemical performance.However,the traditional electrodes development process requires tedious synthesis and testing procedures,which reduces the efficiency of developing highperformance battery devices.Here,we proposed a high-throughput screening strategy based on firstprinciples calculations to aid the experimental development of high-performance spinel cathode materials for AZIBs.We obtained 14 spinel materials from 12,047 Mn/Zn-O based materials by examining their structures and whether they satisfy the basic properties of electrodes.Then their band structures and density of states,open circuit voltage and volume expansion rate,ionic diffusion coefficient and energy barrier were further evaluated by first-principles calculations,resulting in five potential candidates.One of the promising candidates identified,Mg_(2)MnO_(4),was experimentally synthesized,characterized and integrated into an AZIB based cell to verify its performance as a cathode.The Mg_(2)MnO_(4)cathode exhibits excellent cycling stability,which is consistent with the theoretically predicted low volume expansion.Moreover,at high current density,the Mg_(2)MnO_(4)cathode still exhibits high reversible capacity and excellent rate performance,indicating that it is an excellent cathode material for AZIBs.Our work provides a new approach to accelerate the development of high-performance cathodes for AZIBs and other ion batteries. | Haoran Luo Jiangbin Deng Qianzhi Gou Omololu Odunmbaku Kuan Sun Juanxiu Xiao Meng Li Yujie Zheng | 2023 | Chinese Chemical Letters2023，34，8： | 0 |
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