Cluster and periodic ab-initio calculations on K/TiO2(110)

被引:0
|
作者
Istituto Nazionale di Fisica della, Materia, Milan, Italy [1 ]
机构
来源
Surf Sci | / 1卷 / 150-165期
关键词
Number:; -; Acronym:; Sponsor: Alexander von Humboldt-Stiftung;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [21] Ab initio calculations on the early growth state of Pt on TiO2(110) rutile and the role of CO molecule
    Yongprapat, Sarayut
    Therdthianwong, Supaporn
    Kritayakornupong, Chinapong
    COMPUTATIONAL MATERIALS SCIENCE, 2008, 44 (02) : 536 - 541
  • [22] A Model DMMP/TiO2 (110) Intermolecular Potential Energy Function Developed from ab Initio Calculations
    Yang, Li
    Taylor, Ramona
    de Jong, Wibe A.
    Hase, William L.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (25): : 12403 - 12413
  • [23] Chemical modification of rutile TiO2(110) surface by ab initio calculations for the purpose of CO2 adsorption
    Takahashi, H
    Yuki, K
    Nitta, T
    FLUID PHASE EQUILIBRIA, 2002, 194 : 153 - 160
  • [24] A SCF CRYSTAL-FIELD MODEL FOR CLUSTER AB-INITIO CALCULATIONS
    LIU, HL
    CHEN, NY
    ACTA CHIMICA SINICA, 1995, 53 (08) : 734 - 737
  • [25] Ab-initio study of free standing TiO2 clusters: Stability and magnetism
    Rana, T. H.
    Kumar, Pankaj
    Solanki, A. K.
    Skomski, R.
    Kashyap, A.
    JOURNAL OF APPLIED PHYSICS, 2013, 113 (17)
  • [26] Ab-initio study of free standing TiO2 clusters: Stability and magnetism
    Kashyap, A. (arti.kashyap@gmail.com), 1600, American Institute of Physics Inc. (113):
  • [27] Ab-initio study of magnetism behavior in TiO2 semiconductor with structural defects
    Zarhri, Z.
    Houmad, M.
    Ziat, Y.
    El Rhazouani, O.
    Slassi, A.
    Benyoussef, A.
    El Kenz, A.
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2016, 406 : 212 - 216
  • [28] AB-INITIO CALCULATIONS ON HE2H+
    POSHUSTA, RD
    SIEMS, WE
    JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04): : 1995 - &
  • [29] Au/TiO2(110) Interfacial Reconstruction Stability from ab Initio
    Yu, Min
    Trinkle, Dallas R.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (36): : 17799 - 17805
  • [30] RESULTS OF AB-INITIO CALCULATIONS ON FORMAMIDE
    CHRISTENSEN, DH
    KORTZEBORN, RN
    BAK, B
    LED, JJ
    JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10): : 3912 - 3922