Identification of Cu-N2 Sites for Zn-Air Batteries in Harsh Electrolytes: Computer Virtual Screening, Machine Learning, and Practical Application

IF 9.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

CCS Chemistry Pub Date : 2025-06-14 DOI:10.31635/ccschem.025.202505577

Chenxi Xu, Kaiqi Li, Shengchao Liu, Junwei Xu, Subash Sharma, Jincan Zhang, Boyang Mao, Haotian Chen, Hao Zhang, Hannan Xu, Bingcheng Luo, Haiteng Zhao, Zhuoxinran Li, Zhongyuan Huang, Jianan Wang, Kai Xi, Chaopeng Fu, Yunlong Zhao, Guoliang Chai, Guanjie He, Ivan Parkin & Huanxin Li1State Key Laboratory for Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha, Hunan 4100822School of Chemistry and Chemical Engineering, Central South University of Forestry and Technology, Changsha, Hunan 4100043University College London, London WC1H 0AJ4University de Montreal, Montreal, Quebec H3T 1J45Department of Engineering, University of Cambridge, Cambridge CB3 0FA6Department of Chemistry, University of Oxford, Oxford OX1 3QZ7Department of Biochemistry, University of Oxford, Oxford OX1 3QU8College of Science, China Agricultural University, Beijing 1000839School of Intelligence Science and Technology, Peking University, Beijing 100871..

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引用次数: 0

Abstract

CCS Chemistry, Ahead of Print.
Nonprecious-metal catalysts possess great potential to replace noble metals in catalysis; however, selecting efficient candidates through experiments is time-consuming and costly. Herein, we employed a data-driven virtual screening (VS) method to discover ...

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恶劣电解质中锌空气电池Cu-N2位点的识别：计算机虚拟筛选，机器学习和实际应用

CCS化学，领先于印刷。非贵金属催化剂在催化方面具有取代贵金属的巨大潜力；然而，通过实验选择有效的候选者是费时且昂贵的。本文采用数据驱动的虚拟筛选（VS）方法发现…

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来源期刊

CCS Chemistry Chemistry-General Chemistry

CiteScore

13.60

自引率

13.40%

发文量

475

审稿时长

10 weeks

期刊介绍： CCS Chemistry, the flagship publication of the Chinese Chemical Society, stands as a leading international chemistry journal based in China. With a commitment to global outreach in both contributions and readership, the journal operates on a fully Open Access model, eliminating subscription fees for contributing authors. Issued monthly, all articles are published online promptly upon reaching final publishable form. Additionally, authors have the option to expedite the posting process through Immediate Online Accepted Article posting, making a PDF of their accepted article available online upon journal acceptance.