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机译:无缺陷MgO(001)表面上非金属元素的吸附-DFT研究
University of Belgrade, Faculty of Physical Chemistry, Studentski trg 12-16, 11158 Belgrade, Serbia;
University of Belgrade, Faculty of Physical Chemistry, Studentski trg 12-16, 11158 Belgrade, Serbia;
Multiscale Materials Modelling group, Department of Materials Science and Engineering, School of Industrial Engineering and Management, KTH - Royal Institute of Technology, Brinellvaegen 23, 100 44 Stockholm, Sweden, Department of Physics and Astronomy, Uppsala University, Box 516, 75120 Uppsala, Sweden;
Magnesium-oxide; Atomic adsorption; Electronic structure; Bond cleavage;
机译:M_n(M = Ta,Y; n = 1-4)团簇在无缺陷MgO(001)表面上的吸附密度函数研究
机译:M_n(M = Ta,Y; n = 1-4)团簇在无缺陷MgO(001)表面上的吸附密度函数研究
机译:在MgO(001)表面规则和缺陷部位的S吸附:DFT级的聚类模型研究
机译:使用DFT计算研究TiO2锐钛矿(001)表面对噻吩的吸附
机译:硅(001)表面上的二硅化icide纳米线的STM和DFT研究。
机译:对Ca和Fe的酸性微量气氛气体分子吸附的周期DFT研究掺杂mgO的(001)表面的碱性位
机译:(WO3)3纳米能器对Ag(001)缺陷MgO超薄薄膜吸附的DFT研究(001)
机译:离子晶体中振动表面模式的研究。 II。 LiF,mgO,NaF,NaCl,NaI,RbF和RbCl(001)面的热均方振幅的表面增强。