Effect of Vacancy on Electronic and Transport Properties of Graphene Nanoribbons: An Ab Initio Approach

被引：7
|
作者：
Chauhan, Satyendra Singh [1 ]
Srivastava, Pankaj [2 ]
Shrivastava, A. K. [3 ]
机构：
[1] ITM Univ, Sch Sci, Gwalior 474001, MP, India
[2] ABV Indian Inst Informat Technol & Management, Gwalior 474010, MP, India
[3] Jiwaji Univ, Sch Phys, Gwalior 474001, MP, India
来源：
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2012年 / 9卷 / 12期
关键词：
Graphene Nanoribbons; Stability; Electronic; Transport; Metallic;
D O I：
10.1166/jctn.2012.2641
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
We report a spin-unpolarized density functional theory study of electronic and transport properties of zigzag graphene nanoribbons (ZGNRs) defected with one and two vacancy atoms. The pristine and vacancy defected structures of 8 ZGNRs are found to be metallic. The one atom vacancy ZGNRs is energetically more stable. The localized states appear when there are vacancies inside the ZGNRs, which affects its transmission. In case of two vacancies in the ZGNRs the additional peak in DOS is observed close to the Fermi level and the transmission decreases further. Hence, our results point towards the relative suitability of these materials in nanoelectronics applications.
引用
收藏
页码：2215 / 2216
页数：2
相关论文
共 50 条
  • [31] Band gap engineering in doped graphene nanoribbons: An ab initio approach
    Chauhan, Satyendra Singh
    Srivastava, Pankaj
    Shrivastava, A. K.
    [J]. SOLID STATE COMMUNICATIONS, 2013, 154 : 69 - 71
  • [32] Electronic structure and transport properties of hydrogenated graphene and graphene nanoribbons
    Choe, D. H.
    Bang, Junhyeok
    Chang, K. J.
    [J]. NEW JOURNAL OF PHYSICS, 2010, 12
  • [33] Effect of strain on the structural and electronic properties of transition metal-doped arsenene nanoribbons: An ab-initio approach
    Satyendra Singh Chauhan
    Shobhna Ferwani
    Pankaj Srivastava
    [J]. Pramana, 2019, 93
  • [34] Thermodynamic, electronic, and optical properties of graphene oxide: A statistical ab initio approach
    Guilhon, I.
    Bechstedt, F.
    Botti, Silvana
    Marques, M.
    Teles, L. K.
    [J]. PHYSICAL REVIEW B, 2017, 95 (24)
  • [35] Effect of strain on the structural and electronic properties of transition metal-doped arsenene nanoribbons: An ab-initio approach
    Chauhan, Satyendra Singh
    Ferwani, Shobhna
    Srivastava, Pankaj
    [J]. PRAMANA-JOURNAL OF PHYSICS, 2019, 93 (03):
  • [36] Mechanical, Electronic, and Transport Properties of Functionalized Graphene Monolayers from Ab Initio Studies
    Milowska, Karolina Z.
    Birowska, Magdalena
    Majewski, Jacek A.
    [J]. PHYSICS OF SEMICONDUCTORS, 2013, 1566 : 123 - 124
  • [37] Electronic structure and transport properties of armchair graphene nanoribbons
    Ouyang Fang-Ping
    Xu Hui
    Li Ming-Jun
    Xiao Jin
    [J]. ACTA PHYSICO-CHIMICA SINICA, 2008, 24 (02) : 328 - 332
  • [38] Electronic transport properties of graphene nanoribbons with anomalous edges
    Zeng, H.
    Zhao, J.
    Wei, J. W.
    [J]. EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS, 2011, 53 (02):
  • [39] Electronic Transport and Thermodynamic Properties of Binary Liquid Alloy: Ab Initio Approach
    Ashwani Kumar
    Durga P. Ojha
    [J]. Metallurgical and Materials Transactions B, 2010, 41 : 574 - 582
  • [40] Electronic Transport and Thermodynamic Properties of Binary Liquid Alloy: Ab Initio Approach
    Kumar, Ashwani
    Ojha, Durga P.
    [J]. METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE, 2010, 41 (03): : 574 - 582
12345