Revealing the Mechanisms of Photocatalytic Toluene Selective Oxidation on Titanium Dioxide Cluster with Density Functional Theory Calculations

被引:0
|
作者
Yu-Feng Ding
Shuang-Feng Yin
Meng-Qiu Cai
机构
[1] Hunan University,School of Physics and Electronics Science
[2] Hunan University,Advanced Catalytic Engineering Research Center of the Ministry of Education, State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Provincial Hunan Key Laboratory for Cost
来源
Catalysis Letters | 2023年 / 153卷
关键词
Photocatalytic; Toluene; Selective oxidation; Density functional theory; Calculations;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:1871 / 1883
页数:12
相关论文
共 50 条
  • [21] A Comparative Study on the Oxidation Mechanisms of Substituted Phenolic Pollutants by Ferrate(VI) through Experiments and Density Functional Theory Calculations
    Wu, Nannan
    Liu, Mingzhu
    Tian, Bingru
    Wang, Zunyao
    Sharma, Virender K.
    Qu, Ruijuan
    ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2022, 57 (29) : 10629 - 10639
  • [22] Density Functional Theory Study of the Mechanisms of Oxidation of Ethylene by Chromyl Chloride
    Tia, Richard
    Adei, Evans
    INORGANIC CHEMISTRY, 2009, 48 (23) : 11434 - 11443
  • [23] Comment on "Interplay of defect cluster and the stability of xenon in uranium dioxide from density functional calculations"
    Dorado, Boris
    Amadon, Bernard
    Jomard, Gerald
    Freyss, Michel
    Bertolus, Marjorie
    PHYSICAL REVIEW B, 2011, 84 (09):
  • [24] Effect of potential on dissociative adsorption of water on titanium assessed by density functional theory calculations
    Betova, Iva
    Bojinov, Martin
    Karastoyanov, Vasil
    Stancheva, Mina
    COMPUTATIONAL MATERIALS SCIENCE, 2020, 171
  • [25] THE SELECTIVE PHOTOCATALYTIC OXIDATION OF META-PHENOXYTOLUENE ON TITANIUM-DIOXIDE PARTICLES SUPPORTED IN NAFION MEMBRANES
    LUND, EA
    BLATT, E
    FURLONG, DN
    MAU, AWH
    SASSE, WHF
    AUSTRALIAN JOURNAL OF CHEMISTRY, 1989, 42 (08) : 1367 - 1373
  • [26] Density Functional Theory Study of the Oxidation of Methanol to Formaldehyde on a Hydrated Vanadia Cluster
    Gonzalez-Navarrete, P.
    Gracia, L.
    Calatayud, M.
    Andres, J.
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 31 (13) : 2493 - 2501
  • [27] Density Functional Theory Calculations for the Formation of Pentacoordinate Titanium n-Butoxide Derivatives
    Koike, Katsuhiko
    CHEMISTRY LETTERS, 2015, 44 (10) : 1339 - 1341
  • [28] The mechanism of catalytic degradation of secnidazole by semiconductor titanium dioxide: A density functional theory study
    Liu, Huqiong
    Chen, Xinrui
    Li, Dongheng
    Liu, Liuxie
    Li, Laicai
    SURFACE SCIENCE, 2023, 728
  • [29] COBALT(II) TETRASULFOPHTHALOCYANINE ON TITANIUM-DIOXIDE .2. KINETICS AND MECHANISMS OF THE PHOTOCATALYTIC OXIDATION OF AQUEOUS SULFUR-DIOXIDE
    HONG, AP
    BAHNEMANN, DW
    HOFFMANN, MR
    JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24): : 6245 - 6251
  • [30] DENSITY-FUNCTIONAL THEORY DERIVED INTERMEDIATES FROM THE OH INITIATED ATMOSPHERIC OXIDATION OF TOLUENE
    BARTOLOTTI, LJ
    EDNEY, EO
    CHEMICAL PHYSICS LETTERS, 1995, 245 (01) : 119 - 122