Molecular simulation for gas adsorption at TiO2 (rutile and anatase) surface

被引：1
|
作者：
Lin, Hsin-Fu [1 ]
Lin, Hong-Ming [1 ]
Hsu, Shaw-Ling [2 ]
机构：
[1] Dept. of Materials Engineering, Tatung Institute of Technology, Taipei 104, Taiwan
[2] Polymer Science and Engineering, University of Massachusetts, Amherst, MA, United States
来源：
Nanostructured Materials | 1999年 / 12卷 / 01期
关键词：
Number:; NSC; 86-22; 16-E-036-013; Acronym:; -; Sponsor:;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：357 / 360
相关论文
共 50 条
  • [21] Band alignment of rutile and anatase TiO2
    Scanlon D.O.
    Dunnill C.W.
    Buckeridge J.
    Shevlin S.A.
    Logsdail A.J.
    Woodley S.M.
    Catlow C.R.A.
    Powell M.J.
    Palgrave R.G.
    Parkin I.P.
    Watson G.W.
    Keal T.W.
    Sherwood P.
    Walsh A.
    Sokol A.A.
    Nature Materials, 2013, 12 (9) : 798 - 801
  • [22] Band alignment of rutile and anatase TiO2
    Scanlon, David O.
    Dunnill, Charles W.
    Buckeridge, John
    Shevlin, Stephen A.
    Logsdail, Andrew J.
    Woodley, Scott M.
    Catlow, C. Richard A.
    Powell, Michael. J.
    Palgrave, Robert G.
    Parkin, Ivan P.
    Watson, Graeme W.
    Keal, Thomas W.
    Sherwood, Paul
    Walsh, Aron
    Sokol, Alexey A.
    NATURE MATERIALS, 2013, 12 (09) : 798 - 801
  • [23] Photoluminescence of anatase and rutile TiO2 particles
    Abazovic, Nadica D.
    Comor, Mirjana I.
    Dramicanin, Miroslav D.
    Jovanovic, Dragana J.
    Ahrenkiel, S. Phillip
    Nedeljkovic, Jovan M.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (50): : 25366 - 25370
  • [24] Active Sites for Adsorption and Reaction of Molecules on Rutile TiO2(110) and Anatase TiO2(001) Surfaces
    Tan, Shi-jing
    Wang, Bing
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 28 (04) : 383 - 395
  • [25] 4-Mercaptobenzoic Acid Adsorption on TiO2 Anatase (101) and TiO2 Rutile (110) Surfaces
    Compean-Gonzalez, Claudia Lorena
    Thomas, Andrew Guy
    Syres, Karen Louise
    Cole, Jordan
    Li, Zheshen
    SURFACES, 2022, 5 (02): : 238 - 250
  • [26] Adsorbate-Induced Modification of Surface Electronic Structure: Pyrocatechol Adsorption on the Anatase TiO2 (101) and Rutile TiO2 (110) Surfaces
    Syres, Karen L.
    Thomas, Andrew G.
    Flavell, Wendy R.
    Spencer, Ben F.
    Bondino, Federica
    Malvestuto, Marco
    Preobrajenski, Alexei
    Graetzel, Michael
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (44): : 23515 - 23525
  • [27] Molecular Dynamics Simulation of Anatase TiO2 Nanoparticles
    Okeke, George
    Hammond, Robert B.
    Antony, S. Joseph
    JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2013, 13 (02) : 1047 - 1052
  • [28] A patterned TiO2(anatase)/TiO2(rutile) bilayer-type photocatalyst:: Effect of the anatase/rutile junction on the photocatalytic activity
    Kawahara, T
    Konishi, Y
    Tada, H
    Tohge, N
    Nishii, J
    Ito, S
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2002, 41 (15) : 2811 - +
  • [29] ELECTROSTATIC POTENTIAL CALCULATIONS ON CRYSTALLINE TIO2 - THE SURFACE REDUCIBILITY OF RUTILE AND ANATASE
    WONING, J
    VANSANTEN, RA
    CHEMICAL PHYSICS LETTERS, 1983, 101 (06) : 541 - 547
  • [30] 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):
12345