Adsorption of water molecule on V2O5(010) surface:: Cluster DFT studies.

被引:0
|
作者
Witko, M
Hermann, K
Tokarz, R
机构
[1] Polish Acad Sci, Inst Catalysis & Surface Chem, PL-30239 Krakow, Poland
[2] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
078-COMP
引用
收藏
页码:U526 / U526
页数:1
相关论文
共 50 条
  • [1] Cluster studies on adsorption and reactions at the V2O5 (010) surface.
    Witko, M
    Hermann, K
    Tokarz, R
    Michalak, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 74 - PETR
  • [2] Molecular and dissociative adsorption of water at low-index V2O5 surfaces: DFT studies using cluster surface models
    Hejduk, P.
    Szaleniec, M.
    Witko, M.
    JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2010, 325 (1-2) : 98 - 104
  • [3] Water adsorption on α-V2O5 surface and absorption in V2O5•nH2O xerogel: DFT study of electronic structure
    Porsev, Vitaly V.
    Bandura, Andrei V.
    Evarestov, Robert A.
    SURFACE SCIENCE, 2017, 666 : 76 - 83
  • [4] Ab initio density functional theory studies of hydrogen adsorption at the V2O5(010) surface
    Hermann, K
    Chakrabarti, A
    Druzinic, R
    Witko, M
    PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1999, 173 (01): : 195 - 208
  • [5] A periodic DFT study of ammonia adsorption on the V2O5 (001), V2O5 (010) and V2O5 (100) surfaces: Lewis versus Bronsted acid sites
    Yao, Huichao
    Chen, Yu
    Wei, Yuechang
    Zhao, Zhen
    Liu, Zhichang
    Xu, Chunming
    SURFACE SCIENCE, 2012, 606 (21-22) : 1739 - 1748
  • [6] A comparison of the electronic structure and NO adsorption on the (001)-V2O5 surfaces and (001)-V2O5 surfaces with Mo defects -: DFT cluster studies
    Kornelak, P
    Michalak, A
    Najbar, M
    CATALYSIS TODAY, 2005, 101 (02) : 175 - 183
  • [7] Properties and identification of oxygen sites at the V2O5(010) surface:: theoretical cluster studies and photoemission experiments
    Hermann, K
    Witko, M
    Druzinic, R
    Chakrabarti, A
    Tepper, B
    Elsner, M
    Gorschlüter, A
    Kuhlenbeck, H
    Freund, HJ
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1999, 98 : 245 - 256
  • [8] Cluster ab initio studies on the C-H activation at the (010)V2O5 surface.
    Witko, M
    Tokarz, R
    Haras, A
    Haber, J
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 220 : U257 - U257
  • [9] Oxygen 1s NEXAFS spectra of the V2O5(010) surface:: Theoretical studies using ab initio DFT cluster models
    Kolczewski, C.
    Hermann, K.
    PHYSICA SCRIPTA, 2005, T115 : 128 - 130
  • [10] Adsorption and reactions at the (0 1 0) V2O5 surface:: cluster model studies
    Witko, M
    Hermann, K
    Tokarz, R
    CATALYSIS TODAY, 1999, 50 (3-4) : 553 - 565