• 文献标题:   Facile synthesis and first-principles study of nitrogen and sulfur dual-doped porous graphene aerogels/natural graphite as anode materials for Li-ion batteries
  • 文献类型:   Article
  • 作  者:   FENG QT, LI TL, SUI YW, XIAO B, WANG TD, SUN Z, QI JQ, WEI FX, MENG QK, REN YJ, XUE XL
  • 作者关键词:   n s dualdoped porous graphene aerogel, natural graphite, anode material, density functional theory
  • 出版物名称:   JOURNAL OF ALLOYS COMPOUNDS
  • ISSN:   0925-8388 EI 1873-4669
  • 通讯作者地址:  
  • 被引频次:   13
  • DOI:   10.1016/j.jallcom.2021.160923 EA JUL 2021
  • 出版年:   2021

▎ 摘  要

In order to prepare anode materials with a high specific capacity, super rate performance and relatively good stability, the N, S dual-doped porous graphene aerogels/natural graphite composites (denoted as N, S-pGA/NG) were designed via annealing incorporation with hydrothermal method in this paper. Commercial graphite anode materials were modified by adding a small amount of N/S dual-doped Porous graphene aerogels to make them have excellent electrochemical properties. At the same time, in order to further explain the internal mechanism of nitrogen and sulfur atoms doped graphene to improve the properties of natural graphite anode electrodes, we used density functional theory to calculate the adsorption energy, static charge and density of states, which proved that the this optimization's mechanism may lie in the effect of nitrogen and sulfur co-doping on the adsorption behavior of lithium atoms. Therefore, the N, S-pGA/NG exhibited high capacities (531 mAh g(-1) at 0.1 C), improved rate performance (277 mAh g(-1) at 2 C), and good cycling stability. (C) 2021 Elsevier B.V. All rights reserved.