DFT study of carbon dioxide interaction with brookite TiO2 clusters

被引：0
|
作者：
Rodriguez, Monique M. [1 ]
Andino, Jean [1 ,2 ]
Li, Ying [3 ]
机构：
[1] Arizona State Univ, Dept Chem Engn, Tempe, AZ 85281 USA
[2] Arizona State Univ, Dept Civil Environm & Sustainable Engn, Tempe, AZ 85281 USA
[3] Univ Wisconsin, Dept Mech Engn, Milwaukee, WI 53211 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 243卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
389-FUEL
引用
收藏
页数：1
相关论文
共 50 条
  • [31] DFT Calculation of Carbon-Doped TiO2 Nanocomposites
    Gustavsen, Kim Robert
    Feng, Tao
    Huang, Hao
    Li, Gang
    Narkiewicz, Urszula
    Wang, Kaiying
    MATERIALS, 2023, 16 (18)
  • [32] Assessment of shock wave resistance on brookite TiO2
    Sivakumar, A.
    Kalaiarasi, S.
    Dhas, S. Sahaya Jude
    Almansour, Abdulrahman I.
    Kumar, Raju Suresh
    Arumugam, Natarajan
    Dhas, S. A. Martin Britto
    JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2021, 32 (11) : 15134 - 15142
  • [33] Theoretical Clarification of the Coexistence of Cl Effects on Au/TiO2: The Interaction between Au Clusters and the TiO2 Surface, and the Aggregation of Au Clusters on the TiO2 Surface
    Tada, Kohei
    Koga, Hiroaki
    Hayashi, Akihide
    Kondo, Yudai
    Kawakami, Takashi
    Yamanaka, Shusuke
    Okumura, Mitsutaka
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2017, 90 (05) : 506 - 519
  • [34] Interaction of Pt clusters with the anatase TiO2(101) surface:: A first principles study
    Han, Y
    Liu, CJ
    Ge, QF
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (14): : 7463 - 7472
  • [35] Formaldehyde on TiO2 anatase (101): A DFT study
    Liu, Huazhong
    Zhao, Mingtian
    Lei, Yinkai
    Pan, Chunxu
    Xiao, Wei
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 51 (01) : 389 - 395
  • [36] Charge Carriers Cascade in a Ternary TiO2/TiO2/ZnS Heterojunction: A DFT Study
    Di Liberto, Giovanni
    Tosoni, Sergio
    Pacchioni, Gianfranco
    CHEMCATCHEM, 2020, 12 (07) : 2097 - 2105
  • [37] The Interaction of Acrolein with Pristine and N-doped TiO2 Anatase Nanoparticles: A DFT Study
    Abbasi, Amirali
    Sardroodi, Jaber Jahanbin
    ACTA CHIMICA SLOVENICA, 2016, 63 (04) : 713 - 720
  • [38] Raman and infrared spectra of brookite (TiO2): Experiment and theory
    Iliev, M. N.
    Hadjiev, V. G.
    Litvinchuk, A. P.
    VIBRATIONAL SPECTROSCOPY, 2013, 64 : 148 - 152
  • [39] Absolute crystallinity and photocatalytic activity of brookite TiO2 samples
    Bellardita, Marianna
    Di Paola, Agatino
    Megna, Bartolomeo
    Palmisano, Leonardo
    APPLIED CATALYSIS B-ENVIRONMENTAL, 2017, 201 : 150 - 158
  • [40] Preparation of Sm-loaded brookite TiO2 photocatalysts
    Di Paola, A.
    Bellardita, M.
    Marci, G.
    Palmisano, L.
    Parrino, F.
    Amadelli, R.
    CATALYSIS TODAY, 2011, 161 (01) : 35 - 40
12345