Graphitic GaN-ZnO and corresponding nanotubes

被引:5
作者
Chai, Guo-Liang [1 ,2 ]
Lin, Chen-Sheng [1 ]
Cheng, Wen-Dan [1 ]
机构
[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China
[2] Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
基金
中国国家自然科学基金;
关键词
SOLID-SOLUTION; MOLECULAR-DYNAMICS; WATER; PHOTOCATALYST; 1ST-PRINCIPLES;
D O I
10.1039/c1jm13212a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Graphitic GaN-ZnO is predicted theoretically. It is much softer than graphene and easier to wrap up into a nanotube. The g-GaN-ZnO and corresponding nanotubes have relatively uniform band gap independent of structures. Moreover, they are potential photo-catalysts for water splitting and light-emitting in the UV light region.
引用
收藏
页码:17071 / 17076
页数:6
相关论文
共 42 条
  • [21] Designing meaningful density functional theory calculations in materials science - a primer
    Mattsson, AE
    Schultz, PA
    Desjarlais, MP
    Mattsson, TR
    Leung, K
    [J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2005, 13 (01) : R1 - R31
  • [22] Structure and stability of SiC nanotubes
    Menon, M
    Richter, E
    Mavrandonakis, A
    Froudakis, G
    Andriotis, AN
    [J]. PHYSICAL REVIEW B, 2004, 69 (11)
  • [23] SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS
    CHADI, DJ
    [J]. PHYSICAL REVIEW B, 1977, 16 (04): : 1746 - 1747
  • [24] CANDELA-CLASS HIGH-BRIGHTNESS INGAN/ALGAN DOUBLE-HETEROSTRUCTURE BLUE-LIGHT-EMITTING DIODES
    NAKAMURA, S
    MUKAI, T
    SENOH, M
    [J]. APPLIED PHYSICS LETTERS, 1994, 64 (13) : 1687 - 1689
  • [25] The roles of structural imperfections in InGaN-Based blue light-emitting diodes and laser diodes
    Nakamura, S
    [J]. SCIENCE, 1998, 281 (5379) : 956 - 961
  • [26] A MOLECULAR-DYNAMICS METHOD FOR SIMULATIONS IN THE CANONICAL ENSEMBLE
    NOSE, S
    [J]. MOLECULAR PHYSICS, 1984, 52 (02) : 255 - 268
  • [27] Two-dimensional gas of massless Dirac fermions in graphene
    Novoselov, KS
    Geim, AK
    Morozov, SV
    Jiang, D
    Katsnelson, MI
    Grigorieva, IV
    Dubonos, SV
    Firsov, AA
    [J]. NATURE, 2005, 438 (7065) : 197 - 200
  • [28] Electric field effect in atomically thin carbon films
    Novoselov, KS
    Geim, AK
    Morozov, SV
    Jiang, D
    Zhang, Y
    Dubonos, SV
    Grigorieva, IV
    Firsov, AA
    [J]. SCIENCE, 2004, 306 (5696) : 666 - 669
  • [29] Electronic structures of AlGaN2 nanotubes and AlN-GaN nanotube superlattice
    Pan, Hui
    Feng, Yuan Ping
    Lin, Jianyi
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2008, 4 (05) : 703 - 707
  • [30] ACCURATE AND SIMPLE ANALYTIC REPRESENTATION OF THE ELECTRON-GAS CORRELATION-ENERGY
    PERDEW, JP
    WANG, Y
    [J]. PHYSICAL REVIEW B, 1992, 45 (23): : 13244 - 13249