卤化物
阳极
电解质
法拉第效率
材料科学
金属
电导率
电化学
金属锂
阴极
离子电导率
快离子导体
化学工程
无机化学
化学
冶金
物理化学
电极
工程类
作者
Feng Li,Xiaobin Cheng,Lei‐Lei Lu,Yi‐Chen Yin,Jin-Da Luo,Gongxun Lu,Yu‐Feng Meng,Hongsheng Mo,Te Tian,Jing-Tian Yang,Wen Wen,Zhi-Pan Liu,Guozhen Zhang,Cheng Shang,Hong‐Bin Yao
出处
期刊:Nano Letters
[American Chemical Society]
日期:2022-03-04
卷期号:22 (6): 2461-2469
被引量:26
标识
DOI:10.1021/acs.nanolett.2c00187
摘要
Solid electrolytes (SEs) with superionic conductivity and interfacial stability are highly desirable for stable all-solid-state Li-metal batteries (ASSLMBs). Here, we employ neural network potential to simulate materials composed of Li, Zr/Hf, and Cl using stochastic surface walking method and identify two potential unique layered halide SEs, named Li2ZrCl6 and Li2HfCl6, for stable ASSLMBs. The predicted halide SEs possess high Li+ conductivity and outstanding compatibility with Li metal anodes. We synthesize these SEs and demonstrate their superior stability against Li metal anodes with a record performance of 4000 h of steady lithium plating/stripping. We further fabricate the prototype stable ASSLMBs using these halide SEs without any interfacial modifications, showing small internal cathode/SE resistance (19.48 Ω cm2), high average Coulombic efficiency (∼99.48%), good rate capability (63 mAh g-1 at 1.5 C), and unprecedented cycling stability (87% capacity retention for 70 cycles at 0.5 C).
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