Scholarlink

<p>In recent decades, there has been significant interest in finding negative electrode materials that offer excellent reversibility, low open circuit voltages, high specific capacity, and rapid charge–discharge rates. This inclusive innovation&#xa0;study examines the suitability of a T-BN monolayer as negative electrode material for Na-ion batteries (SIBs) applying first-principles computations. The impressive flexibility of T-BN enables it to exhibit strong reversibility when faced with volume expansion resulting from full adsorption. Furthermore, when Na is adsorbed onto the T-BN monolayer, the layer exhibits metallic characteristics, highlighting an exceptional electrical conductivity. Moreover, the T-BN monolayer exhibits a combination of features including a suitable average open-circuit voltage (OCV, 0.26 V), remarkable specific capacity (839.51 mA h g<sup>−1</sup>), low diffusion energy barrier (37 eV), and minimal change in lattice constants (2.78%). With these outstanding characteristics in mind, we anticipate that T-BN has promise to serve as a favorable negative electrode material for SIBs.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Sodium metal-ion batteries based on the T-BN monolayer anode: density functional theory study

  • 期刊论文

  • 发表日期：

    2026年1月8日

查看全文
  • Narinderjit Singh Sawaran Singh,
  • G. Padma Priya,
  • Subhashree Ray,
  • Amrita Pal,
  • Renu Sharma,
  • Sardor Sabirov,
  • L. Safarove,
  • M. Diab,
  • H. Amin El Saban,
  • Mohammed Al-Farouni,
  • Mumtaj Shah

摘要

In recent decades, there has been significant interest in finding negative electrode materials that offer excellent reversibility, low open circuit voltages, high specific capacity, and rapid charge–discharge rates. This inclusive innovation study examines the suitability of a T-BN monolayer as negative electrode material for Na-ion batteries (SIBs) applying first-principles computations. The impressive flexibility of T-BN enables it to exhibit strong reversibility when faced with volume expansion resulting from full adsorption. Furthermore, when Na is adsorbed onto the T-BN monolayer, the layer exhibits metallic characteristics, highlighting an exceptional electrical conductivity. Moreover, the T-BN monolayer exhibits a combination of features including a suitable average open-circuit voltage (OCV, 0.26 V), remarkable specific capacity (839.51 mA h g−1), low diffusion energy barrier (37 eV), and minimal change in lattice constants (2.78%). With these outstanding characteristics in mind, we anticipate that T-BN has promise to serve as a favorable negative electrode material for SIBs.