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
  • [1] Giant Piezoelectric Size Effects in Zinc Oxide and Gallium Nitride Nanowires. A First Principles Investigation
    Agrawal, Ravi
    Espinosa, Horacio D.
    [J]. NANO LETTERS, 2011, 11 (02) : 786 - 790
  • [2] [Anonymous], 2009, Theory of Elasticity
  • [3] The GW method
    Aryasetiawan, F
    Gunnarsson, O
    [J]. REPORTS ON PROGRESS IN PHYSICS, 1998, 61 (03) : 237 - 312
  • [4] PROJECTOR AUGMENTED-WAVE METHOD
    BLOCHL, PE
    [J]. PHYSICAL REVIEW B, 1994, 50 (24): : 17953 - 17979
  • [5] Effects of nonlocality on second-harmonic generation in bulk semiconductors
    Cabellos, J. L.
    Mendoza, Bernardo S.
    Escobar, M. A.
    Nastos, F.
    Sipe, J. E.
    [J]. PHYSICAL REVIEW B, 2009, 80 (15)
  • [6] From molecules to solids with the DMol3 approach
    Delley, B
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (18) : 7756 - 7764
  • [8] MICROSTRUCTURAL CHARACTERIZATION OF NANOCRYSTALS OF ZNO AND CUO OBTAINED FROM BASIC SALTS
    GARCIAMARTINEZ, O
    ROJAS, RM
    VILA, E
    DEVIDALES, JLM
    [J]. SOLID STATE IONICS, 1993, 63-5 : 442 - 449
  • [9] NEW METHOD FOR CALCULATING 1-PARTICLE GREENS FUNCTION WITH APPLICATION TO ELECTRON-GAS PROBLEM
    HEDIN, L
    [J]. PHYSICAL REVIEW, 1965, 139 (3A): : A796 - +
  • [10] Room-temperature ultraviolet nanowire nanolasers
    Huang, MH
    Mao, S
    Feick, H
    Yan, HQ
    Wu, YY
    Kind, H
    Weber, E
    Russo, R
    Yang, PD
    [J]. SCIENCE, 2001, 292 (5523) : 1897 - 1899