First Principles Investigations of Structural, Electronic and Transport Properties of $$\hbox {BiI}_3/\hbox {ZrS}_2$$ van der Waals Heterostructure: A Thermoelectric Perspective

2020 ◽  
Author(s):  
Gautam Sharma ◽  
Shouvik Datta ◽  
Prasenjit Ghosh
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Van Der Waals Heterostructure

Strain-tunable electronic structure and anisotropic transport properties in Janus MoSSe and g-SiC van der Waals heterostructure

2021 ◽  
Author(s):  
Yuliang Liu ◽  
Wenkai Zhao ◽  
Ying Shi ◽  
Chuan-Lu Yang
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
Van Der Waals Heterostructure ◽  
Anisotropic Transport ◽  
Optoelectronic Applications

The van der Waals heterostructures (vdWHs) create a multi-purpose platform to design unique structures for efficient photovoltaic and optoelectronic applications. In this paper, on the basis of the first-principles calculations,...

A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure

2021 ◽  
Vol 23 (6) ◽  
pp. 3963-3973
Author(s):  
Jianxun Song ◽  
Hua Zheng ◽  
Minxia Liu ◽  
Geng Zhang ◽  
Dongxiong Ling ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
First Principles ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
Electronic And Optical Properties ◽  
Direct Bandgap ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, electronic and optical properties of a new vdW heterostructure, C2N/g-ZnO, with an intrinsic type-II band alignment and a direct bandgap of 0.89 eV at the Γ point are extensively studied by DFT calculations.

First-principles study on photoelectric and transport properties of CsXBr3 (X = Ge, Sn) and blue phosphorus van der Waals heterojunctions

2021 ◽  
Vol 129 (3) ◽  
pp. 035302
Author(s):  
Mengli Yao ◽  
Xiaojiao Zhang ◽  
Tian Wu ◽  
Biao Liu ◽  
Mingjun Li ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Study

scholarly journals Adjusting the electronic properties and contact types of graphene/F-diamane-like C4F2 van der Waals heterostructure: a first principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (60) ◽  
pp. 37981-37987
Author(s):  
Thi-Nga Do ◽  
Son-Tung Nguyen ◽  
Cuong Q. Nguyen
Keyword(s):  
Electronic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

We perform a first principles study to investigate the atomic structure, electronic properties and contact types of the graphene/F-diamane-like C4F2 heterostructure.

The strain effect on the electronic properties of the MoSSe/WSSe van der Waals heterostructure: a first-principles study

2020 ◽  
Vol 22 (9) ◽  
pp. 4946-4956 ◽  
Author(s):  
Wenyu Guo ◽  
Xun Ge ◽  
Shoutian Sun ◽  
Yiqun Xie ◽  
Xiang Ye
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Strain Effect ◽  
Vertical Strain ◽  
First Principles Study ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, mechanical and electronic properties of the MoSSe/WSSe van der Waals (vdW) heterostructure under various degrees of horizontal and vertical strain are systematically investigated based on first-principles methods.

Sign in / Sign up

Export Citation Format

Share Document