First-principles study of surface and interfacial chemistry in silicon anodes

被引:0
|
作者
Greeley, Jeffrey P. [1 ]
Chan, M. [1 ]
机构
[1] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
17-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [1] First-Principles Study on the Surface Chemistry of 1.4 nm Silicon Nanocrystals: Case of Hydrosilylation
    Wang, Rong
    Pi, Xiaodong
    Yang, Deren
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (36): : 19434 - 19443
  • [2] First-principles study of interfacial reaction atomic process at silicon oxidation
    Kageshima, H
    Shiraishi, K
    MICROSCOPIC SIMULATION OF INTERFACIAL PHENOMENA IN SOLIDS AND LIQUIDS, 1998, 492 : 195 - 200
  • [3] Role of silicon on the conductivity GaSb surface: A first-principles study
    Zhang, Yu
    Zhu, Xiaolu
    Chen, Lanli
    Xiong, Zhihua
    VACUUM, 2023, 217
  • [4] Interfacial adhesion of a grafted polymer on a cellulose surface: a first-principles study
    Uetsuji, Yasutomo
    Higuchi, Souta
    Murayama, Kazushige
    Aoki, Kenji
    JOURNAL OF MATERIALS SCIENCE, 2021, 56 (04) : 3589 - 3599
  • [5] Interfacial adhesion of a grafted polymer on a cellulose surface: a first-principles study
    Yasutomo Uetsuji
    Souta Higuchi
    Kazushige Murayama
    Kenji Aoki
    Journal of Materials Science, 2021, 56 : 3589 - 3599
  • [6] Principles of silicon surface chemistry from first principles
    Doren, DJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 21 - PHYS
  • [7] Ferroelectric surface chemistry: First-principles study of the PbTiO3 surface
    Garrity, Kevin
    Kakekhani, Arvin
    Kolpak, Alexie
    Ismail-Beigi, Sohrab
    PHYSICAL REVIEW B, 2013, 88 (04)
  • [8] Crystal chemistry of forsterite: A first-principles study
    Wentzcovitch, RM
    Stixrude, L
    AMERICAN MINERALOGIST, 1997, 82 (7-8) : 663 - 671
  • [9] First-principles study of the T center in silicon
    Dhaliah, Diana
    Xiong, Yihuang
    Sipahigil, Alp
    Griffin, Sinead M.
    Hautier, Geoffroy
    PHYSICAL REVIEW MATERIALS, 2022, 6 (05)
  • [10] First-principles study of radiation defects in silicon
    Pelenitsyn, Vladislav
    Korotaev, Pavel
    COMPUTATIONAL MATERIALS SCIENCE, 2022, 207