Superalkali Li3O decorated BC3 monolayer as promising material for hydrogen storage

被引:0
|
作者
Yang, Shuping [1 ]
Pan, Ping [1 ]
Tong, Xiaogang [2 ]
Hou, Wenjie [3 ]
Chen, Xihao [4 ]
机构
[1] School of mathematics and computer sciences, Shaanxi University of Technology, Hanzhong,723000, China
[2] Department of Physics, Longnan Normal University, Longnan,742500, China
[3] Institute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu,610054, China
[4] School of Materials Science and Engineering, Chongqing University of Arts and Sciences, Chongqing,402160, China
关键词
Compilation and indexing terms; Copyright 2025 Elsevier Inc;
D O I
112722
中图分类号
学科分类号
摘要
Binding energy - Density functional theory - Hydrogen storage - Lithium compounds - Monolayers - Stability - Thermodynamics
引用
收藏
相关论文
共 50 条
  • [21] Hydrogen molecule capacity physisorption on BC3 monolayer: First-principles calculations
    Labrousse, J.
    Belasfar, K.
    El Kenz, A.
    Benyoussef, A.
    DIAMOND AND RELATED MATERIALS, 2021, 119
  • [22] ANIONIC AND NEUTRAL STATES OF LI3O
    GUTOWSKI, M
    SIMONS, J
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (34): : 8326 - 8330
  • [23] Hexagonal BC3: A Robust Electrode Material for Li, Na, and K Ion Batteries
    Joshi, Rajendra P.
    Ozdemir, Burak
    Barone, Veronica
    Peralta, Juan E.
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (14): : 2728 - 2732
  • [24] Li decorated C9N4 monolayer as a potential material for hydrogen storage
    Huang, Junchao
    Zhou, Chun
    Duan, Xiangmei
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2021, 46 (65) : 32929 - 32935
  • [25] Metal decorated monolayer BC2N for hydrogen storage
    Wang, Yu Sheng
    Yuan, Peng Fei
    Li, Meng
    Jiang, Wei Fen
    Sun, Qiang
    Jia, Yu
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 60 : 181 - 185
  • [26] Structure of hyperlithiated Li3O and evidence for electronomers
    Yokoyama, K
    Tanaka, H
    Kudo, H
    JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (17): : 4312 - 4315
  • [27] Reduced Li diffusion barriers in composite BC3 nanotubes
    Zhao, JJ
    Wen, B
    Zhou, Z
    Chen, ZF
    Schleyer, PV
    CHEMICAL PHYSICS LETTERS, 2005, 415 (4-6) : 323 - 326
  • [28] Anharmonicities in the temperature-dependent bending rigidity of BC3 monolayer
    Mrudul, M. S.
    Thomas, Siby
    Ajith, K. M.
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2020, 146
  • [29] Strain-tunable electronic and optical properties of BC3 monolayer
    Zhang, Yang
    Wu, Zhi-Feng
    Gao, Peng-Fei
    Fang, Dang-Qi
    Zhang, Er-Hu
    Zhang, Sheng-Li
    RSC ADVANCES, 2018, 8 (03) : 1686 - 1692
  • [30] Selective decorating of BC3 and C3N nanosheets with single metal atom for hydrogen storage
    Li, Jing
    Guo, Yongliang
    Ma, Shuhong
    Jiao, Zhaoyong
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2022, 47 (57) : 24004 - 24013