First-Principles Calculations of Minerals and Related Materials

被引:0
|
作者
Ibanez-Insa, Jordi [1 ]
机构
[1] Geosci Barcelona GEO3BCN CSIC, Lluis Sole & Sabaris S-N, Barcelona 08028, Catalonia, Spain
关键词
ADSORPTION;
D O I
10.3390/min12091171
中图分类号
P3 [地球物理学]; P59 [地球化学];
学科分类号
0708 ; 070902 ;
摘要
引用
下载
收藏
页数:3
相关论文
共 50 条
  • [1] First-principles calculations for topological quantum materials
    Jiewen Xiao
    Binghai Yan
    Nature Reviews Physics, 2021, 3 : 283 - 297
  • [2] First-principles WDA calculations for ferroelectric materials
    Wu, ZG
    Cohen, RE
    Singh, DJ
    FUNDAMENTAL PHYSICS OF FERROELECTRICS 2003, 2003, 677 : 276 - 285
  • [3] First-principles calculations for topological quantum materials
    Xiao, Jiewen
    Yan, Binghai
    NATURE REVIEWS PHYSICS, 2021, 3 (04) : 283 - 297
  • [4] First-principles calculations of elasticity of minerals at high temperature and pressure
    ZhongQing Wu
    WenZhong Wang
    Science China Earth Sciences, 2016, 59 : 1107 - 1137
  • [5] First-principles calculations of elasticity of minerals at high temperature and pressure
    WU ZhongQing
    WANG WenZhong
    Science China Earth Sciences, 2016, 59 (06) : 1107 - 1137
  • [6] First-principles calculations of elasticity of minerals at high temperature and pressure
    Wu ZhongQing
    Wang WenZhong
    SCIENCE CHINA-EARTH SCIENCES, 2016, 59 (06) : 1107 - 1137
  • [7] First-principles calculations of NMR parameters for phosphate materials
    Vasconcelos, Filipe
    Cristol, Sylvain
    Paul, Jean-Francois
    Montagne, Lionel
    Mauri, Francesco
    Delevoye, Laurent
    MAGNETIC RESONANCE IN CHEMISTRY, 2010, 48 : S142 - S150
  • [8] Review and prospect of first-principles calculations on piezoelectric materials
    Xin Jun
    Zheng Yan-qing
    Shi Er-wei
    JOURNAL OF INORGANIC MATERIALS, 2007, 22 (02) : 193 - 200
  • [9] Designing interfaces in energy materials applications with first-principles calculations
    Keith T. Butler
    Gopalakrishnan Sai Gautam
    Pieremanuele Canepa
    npj Computational Materials, 5
  • [10] First-principles calculations of two-dimensional magnetic materials
    Xu, Zhiming
    Li, Yang
    Xu, Yong
    Duan, Wenhui
    CHINESE SCIENCE BULLETIN-CHINESE, 2021, 66 (06): : 535 - 550