Scholarlink

Abstract <p>The study investigates the adsorption properties of alkali metals (Li, Na, K) on defective carbon surfaces using density functional theory. Various types of defects are considered, including single vacancies and nitrogen doping. The results demonstrate that the presence of defects significantly enhances the adsorption energy, with nitrogen doping in particular intensifying the interaction with alkali metals. This effect could potentially improve the performance of alkali-ion batteries, enabling higher capacity.</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

Carbon Defects Applied to Alkali-Ion Batteries: A Density Functional Theory Study

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2025年6月15日

查看全文
  • R. A. Sukhachev,
  • M. V. Mamonova,
  • P. V. Prudnikov,
  • A. V. Lavrenov

摘要

Abstract

The study investigates the adsorption properties of alkali metals (Li, Na, K) on defective carbon surfaces using density functional theory. Various types of defects are considered, including single vacancies and nitrogen doping. The results demonstrate that the presence of defects significantly enhances the adsorption energy, with nitrogen doping in particular intensifying the interaction with alkali metals. This effect could potentially improve the performance of alkali-ion batteries, enabling higher capacity.