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在具有内置双极体的β₁₂-烯/石墨烯异构结构中增强多层储存

Xiaowei Jiang¹, Wenjun Tang¹, Xiaobin Niu¹

¹School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu 611731, China. hychen@uestc.edu.cn.

Physical chemistry chemical physics : PCCP

|January 11, 2024

概括

烯/石墨烯异构结构在储能方面显示出前景. 这种β12-烯/石墨烯材料为先进的离子电池提供了高容量和快速离子传输.

科学领域:

材料科学材料科学材料科学
纳米技术纳米技术
电化学电化学电化学

背景情况:

烯是的二维异形,在实际应用中需要稳定.
金属支可以增强烯的结构完整性和能量储存设备中的实用性.

研究的目的:

选和研究烯/石墨烯异构结构作为离子电池 (LIB) 的潜在阳极材料.
为LIB应用评估β12-烯/石墨烯 (β12-B/G) 异构结构的结构,电子和电化学特性.

主要方法:

使用第一原则计算来选各种烯/石墨烯异构结构.
选择的β12-B/G异构结构被系统地研究其作为LIB阳极的性能.

主要成果:

β12-B/G异构表现出优越的结构完整性,强大的层间结合,以及高热力学稳定性.
它显示了2267 mA hg-1的超高的理论特异容量,这归因于多层离子吸附.
较低的扩散能量障碍促进了更快的电子运输和离子扩散,而内置的二极管则增强了离子迁移.

结论:

β12-B/G异构结构是高性能LIB阳极的有希望的候选者.
构建带有内置二极体的烯基异构结构是设计先进的储能材料的有效策略.

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