Electronic properties of hydrogenated porous Graphene based nanoribbons: A density functional theory study

被引：0

作者：

Majidi, Roya ^{[1
]}

Karami, AliReza ^{[2
]}

Rahmani, Khatereh ^{[3
]}

Khairogli, Amir Mohammad ^{[4
]}

机构：

[1] Shahid Rajaee Teacher Training Univ, Dept Phys, Tehran, Iran

[2] Shahid Rajaee Teacher Training Univ, Dept Chem, Tehran, Iran

[3] Kabul Polytech Univ, Dept Chem, Kabul, Afghanistan

[4] Faryab Univ, Dept Chem, Faryab, Afghanistan

来源：

INTERNATIONAL JOURNAL OF NANO DIMENSION | 2020年 / 11卷 / 02期

关键词：

Density Functional Theory (DFT); Electronic Properties; Energy Band Gap; Hydrogenated Porous Graphene; Nanoribbon; CARBON; MODULATION; OXIDE; GAS;

D O I：

暂无

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The structural and electronic properties of the hydrogenated porous graphene nanoribbons were studied by using density functional theory calculations. The results show that the hydrogenated porous graphene nanoribbons are energetically stable. The effects of ribbon type and ribbon width on the electronic properties of these nanoribbons were investigated. It was found that both armchair and zigzag hydrogenated porous graphene nanoribbons are semiconductors. Their energy band gaps depend on the ribbon width and topological shape of carbon atoms at the edges of the nanoribbons. The band gap of the nanoribbons decreases monotonically with increasing the ribbon width. The semiconducting properties of the hydrogenated porous graphene nanoribbons suggest these ribbons as proper materials for use in future nanoelectronic devices.

引用

页码：112 / 119

页数：8

共 50 条

[1] Density functional theory study of the vibrational properties of hydrogenated graphene
Zhou, X. H.
Huang, Y.
Chen, X. S.
Lu, W.
SOLID STATE COMMUNICATIONS, 2013, 157 : 24 - 28
[2] Electronic Properties of Graphene Nanoribbons: A Density Functional Investigation
Kumar, Sandeep
Sharma, Hitesh
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON CONDENSED MATTER PHYSICS 2014 (ICCMP 2014), 2015, 1661
[3] Electronic Properties of SiB Nanoribbons in Density Functional Theory
Sani, Shahdokht Sohrabi
Karami, Marzieh
SILICON, 2022, 14 (04) : 1431 - 1438
[4] Electronic Properties of SiB Nanoribbons in Density Functional Theory
Shahdokht Sohrabi Sani
Marzieh Karami
Silicon, 2022, 14 : 1431 - 1438
[5] Chlorinated graphene and graphene nanoribbons: A density functional theory study
Lopez-Urias, Florentino
Fajardo-Diaz, JuanL.
Medina-Llamas, Veronica L.
Martinez-Iniesta, Armando D.
Endo, Morinobu
Munoz-Sandoval, Emilio
FLATCHEM, 2024, 46
[6] Electronic Properties of Armchair Graphene Nanoribbons with Oxygenterminated Edges:A Density Functional Study
GE Hong-Yu
WANG Guo
结构化学, 2015, 34 (05) : 641 - 649
[7] Electronic structure and transport properties of hydrogenated graphene and graphene nanoribbons
Choe, D. H.
Bang, Junhyeok
Chang, K. J.
NEW JOURNAL OF PHYSICS, 2010, 12
[8] Density functional theory study on the electronic properties and stability of silicene/silicane nanoribbons
Jiang, Q. G.
Zhang, J. F.
Ao, Z. M.
Wu, Y. P.
JOURNAL OF MATERIALS CHEMISTRY C, 2015, 3 (16) : 3954 - 3959
[9] Electronic and optical properties of surface hydrogenated armchair graphene nanoribbons: a theoretical study
Zhu, Xi
Wang, Min
RSC ADVANCES, 2016, 6 (14): : 11786 - 11794
[10] ELECTRONIC PROPERTIES OF O-DOPED POROUS GRAPHENE AND BIPHENYLENE CARBON: A DENSITY FUNCTIONAL THEORY STUDY
Majidi, R.
Saadat, M.
Davoudi, S.
ROMANIAN REPORTS IN PHYSICS, 2017, 69 (04)

← 1 2 3 4 5 →