Quantum-chemical modelling of nanotubes of titanium silicocarbides Ti2SiC, Ti3SiC2, and Ti4SiC3

被引：3
|
作者：
Enyashin, A. N. [1 ]
Ivanovskii, A. L. [1 ]
机构：
[1] Russian Acad Sci, Inst Solid State Chem, Urals Branch, Ekaterinburg 620990, Russia
来源：
THEORETICAL AND EXPERIMENTAL CHEMISTRY | 2009年 / 45卷 / 02期
关键词：
Ti2SiC; Ti3SiC2; Ti4SiC3; nanotubes; modelling; atomic structure; electronic structure; PRECISE SEMICONDUCTOR NANOTUBES;
D O I：
10.1007/s11237-009-9077-6
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Atomic models are proposed for nanotubes of the titanium silicocarbides Ti2SiC, Ti3SiC2, and Ti4SiC3, and their electronic structure and interatomic interactions are investigated by the density functional tight-binding method (DFTB) in comparison with the corresponding crystalline phases.
引用
收藏
页码：98 / 102
页数：5
相关论文
共 50 条
  • [1] Quantum-chemical modelling of nanotubes of titanium silicocarbides Ti2SiC, Ti3SiC2, and Ti4SiC3
    A. N. Enyashin
    A. L. Ivanovskii
    Theoretical and Experimental Chemistry, 2009, 45 : 98 - 102
  • [2] Fabrication of Ti3SiC2 and Ti4SiC3 MAX phase ceramics through reduction of TiO2 with SiC
    Istomin, Pavel
    Istomina, Elena
    Nadutkin, Aleksandr
    Grass, Vladislav
    Leonov, Aleksandr
    Kaplan, Mikhail
    Presniakov, Mikhail
    CERAMICS INTERNATIONAL, 2017, 43 (18) : 16128 - 16135
  • [3] Long time oxidation study of Ti3SiC2,Ti3SiC2/SiC, and Ti3SiC2/TiC composites in air
    Barsoum, MW
    Ho-Duc, LH
    Radovic, M
    El-Raghy, T
    JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2003, 150 (04) : B166 - B175
  • [4] Evaluation of properties of spark plasma sintered Ti3SiC2 and Ti3SiC2/SiC composites
    Islak, Bilge Yaman
    Ayas, Erhan
    CERAMICS INTERNATIONAL, 2019, 45 (09) : 12297 - 12306
  • [5] Toughening of SiC with Ti3SiC2 particles
    Mogilevsky, P
    Mah, TI
    Parthasarathy, TA
    Cooke, CM
    JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2006, 89 (02) : 633 - 637
  • [6] Polymorphism of Ti3SiC2
    Yu, R
    Zhan, Q
    He, LL
    Zhou, YC
    Ye, HQ
    JOURNAL OF MATERIALS RESEARCH, 2002, 17 (05) : 948 - 950
  • [7] Structure of Ti3SiC2
    Rawn, CJ
    Payzant, EA
    Hubbard, CR
    Barsoum, MW
    El-Raghy, T
    EUROPEAN POWDER DIFFRACTION, PTS 1 AND 2, 2000, 321-3 : 889 - 892
  • [8] Polymorphism of Ti3SiC2
    R. Yu
    Q. Zhan
    L. L. He
    Y. C. Zhou
    H. Q. Ye
    Journal of Materials Research, 2002, 17 : 948 - 950
  • [9] Preparation of Ti3SiC2
    P. V. Istomin
    A. V. Nadutkin
    Yu. I. Ryabkov
    B. A. Goldin
    Inorganic Materials, 2006, 42 : 250 - 255
  • [10] Ti3SiC2 and ice
    Barsoum, MW
    Radovic, M
    Finkel, P
    El-Raghy, T
    APPLIED PHYSICS LETTERS, 2001, 79 (04) : 479 - 481
12345