First-principles simulations of graphitic nanoribbons

被引：0
作者：
Mintmire, John W. [1 ]
Li, Junwen [1 ]
Gunlycke, Daniel [2 ]
White, Carter T. [2 ]
机构：
[1] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA
[2] USN, Div Chem, Res Lab, Washington, DC 20375 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2009年 / 238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：
107-PHYS
引用
收藏
页数：1
相关论文
共 50 条
  • [21] Universal optical properties of graphane nanoribbons: A first-principles study
    Yang, Yu-E
    Yang, Yu-Rong
    Yan, Xiao-Hong
    [J]. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2012, 44 (7-8) : 1406 - 1409
  • [22] Stable and metallic borophene nanoribbons from first-principles calculations
    Liu, Yunxia
    Dong, Yao-Jun
    Tang, Zeyuan
    Wang, Xue-Feng
    Wang, Lu
    Hou, Tingjun
    Lin, Haiping
    Li, Youyong
    [J]. JOURNAL OF MATERIALS CHEMISTRY C, 2016, 4 (26) : 6380 - 6385
  • [23] The Effects of Dangling Bonds on AlN Nanoribbons: A First-Principles Study
    Sun, Ting-ting
    Wang, Yong-xin
    Chen, Zheng
    Du, Xiu-juan
    [J]. JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2015, 28 (01) : 271 - 275
  • [24] First-principles study of the thermoelectric properties of strained graphene nanoribbons
    Yeo, Pei Shan Emmeline
    Sullivan, Michael B.
    Loh, Kian Ping
    Gan, Chee Kwan
    [J]. JOURNAL OF MATERIALS CHEMISTRY A, 2013, 1 (36) : 10762 - 10767
  • [25] Optical spectra of zigzag graphene nanoribbons: a first-principles study
    Mousavi, Seyedeh Tahereh
    Badehian, Hojat Allah
    Gharbavi, Khadijeh
    [J]. PHYSICA SCRIPTA, 2022, 97 (10)
  • [26] Work Functions of Boron Nitride Nanoribbons: First-Principles Study
    He, Chaoyu
    Yu, Zhizhou
    Sun, L. Z.
    Zhong, J. X.
    [J]. JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2012, 9 (01) : 16 - 22
  • [27] Preferential functionalization on zigzag graphene nanoribbons: first-principles calculations
    Lee, Hoonkyung
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 22 (35)
  • [28] Dimension effect on ferroelectricity: a first-principles study on GeS nanoribbons
    Su, Haishan
    Hu, Ting
    Kan, Erjun
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 23 (34) : 18863 - 18868
  • [29] First-Principles Study of Chemisorption of Oxygen and Aziridine on Graphitic Nanostructures
    Kutana, Alex
    Giapis, Konstantinos P.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (33) : 14721 - 14726
  • [30] First-principles simulations of the electrode|electrolyte interface
    Halley, JW
    Mazzolo, A
    Zhou, Y
    Price, D
    [J]. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1998, 450 (02): : 273 - 280
12345