Cover Feature: Li Decorated Graphdiyne Nanosheets: A Theoretical Study for an Electrode Material for Nonaqueous Lithium Batteries (Batteries & Supercaps 12/2024)

IF 5.1 4区 材料科学 Q2 ELECTROCHEMISTRY Batteries & Supercaps Pub Date : 2024-12-09 DOI:10.1002/batt.202481203
M. J. Jiménez, J. Juan, M.S. Sandoval, P. Bechthold, P. V. Jasen, E. A. González, A. Juan
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Abstract

The Cover Feature illustrates the optimized structures for lithium adsorbed on pristine and defective graphdiyne (GDY) nanosheets. The upper part (left) of the picture shows a perfect layer decorated with lithium (green), to the right is a plot of the charge density difference, showing a uniform distribution and a charge transfer from the lithium at one vertex. The lower part presents the structure after introducing a carbon vacancy showing a distortion, charge transfer from Li atoms and an asymmetric charge density difference that moves to the three connecting carbon atoms (blue). More information can be found in the Research Article by A. Juan and co-workers (DOI: 10.1002/batt.202400514).

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封面特写:Li修饰石墨烯纳米片:非水锂电池电极材料的理论研究(电池& Supercaps 12/2024)
覆盖特征说明了锂吸附在原始和缺陷石墨炔(GDY)纳米片上的优化结构。图片的上半部分(左)显示了一个完美的锂装饰层(绿色),右边是电荷密度差图,显示了一个均匀的分布和锂在一个顶点的电荷转移。下半部分是引入碳空位后的结构,显示了扭曲、锂原子的电荷转移以及向三个连接的碳原子(蓝色)移动的不对称电荷密度差。更多信息可以在A. Juan及其同事的研究文章中找到(DOI: 10.1002/bat .202400514)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
8.60
自引率
5.30%
发文量
223
期刊介绍: Electrochemical energy storage devices play a transformative role in our societies. They have allowed the emergence of portable electronics devices, have triggered the resurgence of electric transportation and constitute key components in smart power grids. Batteries & Supercaps publishes international high-impact experimental and theoretical research on the fundamentals and applications of electrochemical energy storage. We support the scientific community to advance energy efficiency and sustainability.
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