范德瓦尔斯力
相变
阴极
材料科学
相(物质)
凝聚态物理
化学物理
共价键
密度泛函理论
化学
物理
计算化学
物理化学
量子力学
分子
作者
Ang Gao,Shijie Shen,T Shang,Yuansheng Shi,Huanhuan Zhang,Weiguang Lin,Shiyu Wang,Ting Lin,Pengxiang Ji,Yi‐Chi Wang,Yujie Chen,Botao Yu,Xia Lu,Wenwu Zhong,Qinghua Zhang,Lin Gu
出处
期刊:Science Advances
[American Association for the Advancement of Science]
日期:2024-08-14
卷期号:10 (33)
被引量:8
标识
DOI:10.1126/sciadv.adp4906
摘要
High-voltage phase transition constitutes the major barrier to accessing high energy density in layered cathodes. However, questions remain regarding the origin of phase transition, because the interlayer weak bonding features cannot get an accurate description by experiments. Here, we determined van der Waals (vdW) interaction (vdWi) in Li
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