DFT investigation of the structure and stability of stepped rutile TiO2(110)

被引:0
|
作者
Hammer, Bjork [1 ,2 ]
机构
[1] Aarhus Univ, iNANO, DK-8000 Aarhus, Denmark
[2] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus, Denmark
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
225-PHYS
引用
收藏
页数:1
相关论文
共 50 条
  • [21] Chemical reactions on rutile TiO2(110)
    Pang, Chi Lun
    Lindsay, Robert
    Thornton, Geoff
    CHEMICAL SOCIETY REVIEWS, 2008, 37 (10) : 2328 - 2353
  • [22] Theoretical Investigation of the Uranyl Ion Sorption on the Rutile TiO2(110) Face
    Perron, Hadrien
    Roques, Jerome
    Domain, Christophe
    Drot, Romuald
    Simoni, Eric
    Catalette, Hubert
    INORGANIC CHEMISTRY, 2008, 47 (23) : 10991 - 10997
  • [23] The adsorption of acenes on rutile TiO2(110):: A multi-technique investigation
    Reiss, S
    Krumm, H
    Niklewski, A
    Staemmler, V
    Wöll, C
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (17): : 7704 - 7713
  • [24] DFT investigation on structural stability, electronic properties and CO adsorption characteristics on anatase and rutile TiO2 nanostructures
    Nagarajan, V.
    Chandiramouli, R.
    CERAMICS INTERNATIONAL, 2014, 40 (10) : 16147 - 16158
  • [25] In situ characterization of the deposition of anatase TiO2 on rutile TiO2(110)
    Head, Ashley R.
    Johansson, Niclas
    Niu, Yuran
    Snezhkova, Olesia
    Chaudhary, Shilpi
    Schnadt, Joachim
    Bluhm, Hendrik
    Chen, Chaoyu
    Avila, Jose
    Asensio, Maria-Carmen
    JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, 2018, 36 (02):
  • [26] Energy of Step Defects on the TiO2 Rutile (110) Surface: An ab initio DFT Methodology
    Hardcastle, Trevor P.
    Seabourne, Che R.
    Brydson, Rik M. D.
    Livi, Ken J. T.
    Scott, Andrew J.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 117 (45): : 23766 - 23780
  • [27] A DFT study of water adsorption on rutile TiO2 (110) surface: The effects of surface steps
    Zheng, Ting
    Wu, Chunya
    Chen, Mingjun
    Zhang, Yu
    Cummings, Peter T.
    JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (04):
  • [28] Carbon Doping of the TiO2 (110) Rutile Surface. A Theoretical Study Based on DFT
    Graciani, Jesus
    Ortega, Yanaris
    Sanz, Javier Fdez
    CHEMISTRY OF MATERIALS, 2009, 21 (08) : 1431 - 1438
  • [29] ELECTRONIC-STRUCTURE AND RELAXED GEOMETRY OF THE TIO2 RUTILE (110) SURFACE
    VOGTENHUBER, D
    PODLOUCKY, R
    NECKEL, A
    STEINEMANN, SG
    FREEMAN, AJ
    PHYSICAL REVIEW B, 1994, 49 (03): : 2099 - 2103
  • [30] Reply to "Comment on 'Structure and dynamics of liquid water on rutile TiO2(110)' "
    Liu, Li-Min
    Zhang, C.
    Thornton, G.
    Michaelides, A.
    PHYSICAL REVIEW B, 2012, 85 (16):