Variation of the electronic properties of the silicene nanosheet passivated by hydrogen atoms: A DFT investigation

被引：2

作者：

Alavi-Rad, Hosein ^{[1
]}

Kiani-Sarkaleh, Azadeh ^{[1
]}

Rouhi, Saeed ^{[2
]}

Ghadimi, Abbas ^{[3
]}

机构：

[1] Islamic Azad Univ, Dept Elect Engn, Rasht Branch, Rasht, Iran

[2] Islamic Azad Univ, Dept Mech Engn, Langroud Branch, Langroud, Iran

[3] Islamic Azad Univ, Dept Elect Engn, Lahijan Branch, Lahijian, Iran

来源：

AIMS MATERIALS SCIENCE | 2019年 / 6卷 / 06期

关键词：

density functional theory (DFT); silicene; hydrogenation; electronic properties; GRAPHENE; 1ST-PRINCIPLES; GAS; NANOSTRUCTURES; TRANSPORT; MOLECULES; ORDER;

D O I：

10.3934/matersci.2019.6.1010

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using the first-principles calculations, the electronic properties of hydrogenated silicene (H-silicene) has been investigated. The influence of the hydrogenation on the bandgap and I-V characteristics of the silicene is evaluated. It is shown that the H-silicene has an indirect band gap, with the value of 2.33 eV while silicene nanosheet represents a semi-metallic behavior with a zero band gap and Dirac cone at the Fermi level. Some unique properties of H-silicene is observed which make it ideal for variety of applications in designing spintronic devices, optoelectronics devices, transparent conducting electrodes, and integrated circuits.

引用

页码：1010 / 1019

页数：10

共 50 条

[21] Effect of substitution (Al and P) atoms in ZnO nanosheet on structural and electronic properties
Umran, Nibras M.
Rashed, Haneen A.
Alosfur, Firas K. Mohamad
Ridha, Noor J.
SIXTH SCIENTIFIC CONFERENCE RENEWABLE ENERGY AND ITS APPLICATIONS, 2018, 1032
[22] Influence of F and H adsorption on the elasto-plastic properties of silicene: A DFT investigation
Goli, M.
Ansari, R.
Rouhi, S.
Aghdasi, P.
Mozvashi, S. M.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2020, 119
[23] Enhancing the Glucose Sensing Properties of Silicene Through Transition Metal Doping: a DFT Investigation
Pethurajan, Kalpana Devi
Singh, Krishna Kumar
ADVANCED THEORY AND SIMULATIONS, 2024, 7 (08)
[24] A DFT investigation on the mechanical and structural properties of silicene nanosheets under doping of transition metals
Aghdasi, P.
Yousefi, Sh
Ansari, R.
Tagani, M. Bagheri
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2022, 128 (08):
[25] Structures and electronic properties of silicene clusters: a promising material for FET and hydrogen storage
Jose, Deepthi
Datta, Ayan
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (16) : 7304 - 7311
[26] The intriguing electronic and optical properties modulation of hydrogen and fluorine codecorated silicene layers
Yang, Qun
Tan, Chunjian
Meng, Ruishen
Jiang, Junke
Liang, Qiuhua
Sun, Xiang
Yang, Daoguo
Chen, Xianping
APPLIED SURFACE SCIENCE, 2017, 398 : 73 - 80
[27] DFT INVESTIGATION OF STRUCTURAL AND ELECTRONIC PROPERTIES OF MODIFIED PZT
Hussein, Rageh K.
Bashter, Ibrahim I.
El-Okr, Mohamed
Ibrahim, Medhat Ahmed
ACTA CHEMICA IASI, 2019, 27 (01) : 15 - 30
[28] A DFT investigation of the electronic, optical, and thermoelectric properties of pentadiamond
Tromer, Raphael M.
Felix, Levi C.
Woellner, Cristiano F.
Galvao, Douglas S.
CHEMICAL PHYSICS LETTERS, 2021, 763
[29] Electronic Properties of Hexagonal Gallium Phosphide: A DFT Investigation
Kumar, Vipin
Shah, Esha V.
Roy, Debesh R.
DAE SOLID STATE PHYSICS SYMPOSIUM 2015, 2016, 1731
[30] Electronic and dielectric properties of silicene functionalized with monomers, dimers and trimers of B, C and N atoms
Mohan, Brij
Kumar, Ashok
Ahluwalia, P. K.
RSC ADVANCES, 2014, 4 (60) : 31700 - 31705

← 1 2 3 4 5 →