C3N/BN异质结构：锂离子电池极具前景的负极材料

IF 3.6 2区物理与天体物理 Q2 PHYSICS, APPLIED

Applied Physics Letters Pub Date : 2025-05-01 DOI:10.1063/5.0263954

Yan Peng, Xu Tang, Manqi You, Gencai Guo, Gang Guo, Siwei Luo, Jianxin Zhong

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引用次数: 0

摘要

在锂离子电池负极材料的深入研究中，C3N因其刚度高、导电性好而成为人们关注的焦点。然而，它有限的锂迁移率限制了它的实际应用。相比之下，BN具有优异的热稳定性和锂迁移率，但电导率较差。本研究通过构建C3N/BN异质结构结合了两种材料的优势。计算结果表明，该异质结构具有良好的力学性能，杨氏模量为632.0 N m−1。与单层C3N （0.54 eV）和BN （0.03 eV）相比，C3N/BN异质结构中Li的吸附能（0.98 eV）大大提高，容量可达1276.56 mA h g−1。由于BN的影响，Li迁移能垒降低到0.26 eV，低于单层C3N的0.34 eV。此外，异质结构在普通电解质中也表现出良好的润湿性。这些结果突出了C3N/BN异质结构作为高性能锂离子电池极具前景的阳极候选材料。

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C3N/BN heterostructure: A promising anode material in lithium-ion batteries

In the in-depth study of anode materials for lithium-ion batteries, C3N has become the focus of attention due to its high stiffness and good electrical conductivity. However, its limited lithium mobility restricts its practical application. In contrast, BN offers excellent thermal stability and lithium mobility but has poor conductivity. This study combines the strengths of both materials by constructing a C3N/BN heterostructure. Calculated results show the heterostructure exhibits excellent mechanical properties, with a Young's modulus of 632.0 N m−1. Moreover, the adsorption energy of Li in the C3N/BN heterostructure (0.98 eV) is greatly enhanced compared to that in monolayer C3N (0.54 eV) and BN (0.03 eV), and the capacity can reach 1276.56 mA h g−1. Due to the influence of BN, Li migration energy barrier is reduced to 0.26 eV, lower than that of monolayer C3N (0.34 eV). Besides, the heterostructure also shows favorable wettability in common electrolytes. These results highlight the C3N/BN heterostructure as a promising anode candidate for high-performance lithium-ion batteries.

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来源期刊

Applied Physics Letters 物理-物理：应用

CiteScore

6.40

自引率

10.00%

发文量

1821

审稿时长

1.6 months

期刊介绍： Applied Physics Letters (APL) features concise, up-to-date reports on significant new findings in applied physics. Emphasizing rapid dissemination of key data and new physical insights, APL offers prompt publication of new experimental and theoretical papers reporting applications of physics phenomena to all branches of science, engineering, and modern technology. In addition to regular articles, the journal also publishes invited Fast Track, Perspectives, and in-depth Editorials which report on cutting-edge areas in applied physics. APL Perspectives are forward-looking invited letters which highlight recent developments or discoveries. Emphasis is placed on very recent developments, potentially disruptive technologies, open questions and possible solutions. They also include a mini-roadmap detailing where the community should direct efforts in order for the phenomena to be viable for application and the challenges associated with meeting that performance threshold. Perspectives are characterized by personal viewpoints and opinions of recognized experts in the field. Fast Track articles are invited original research articles that report results that are particularly novel and important or provide a significant advancement in an emerging field. Because of the urgency and scientific importance of the work, the peer review process is accelerated. If, during the review process, it becomes apparent that the paper does not meet the Fast Track criterion, it is returned to a normal track.