scholarly journals First-principles study on optoelectronic properties of Cs2PbX4–PtSe2 van der Waals heterostructures

RSC Advances ◽  
2022 ◽  
Vol 12 (4) ◽  
pp. 2292-2299
Author(s):  
Xue Li ◽  
Liyuan Wu ◽  
Shuying Cheng ◽  
Changcheng Chen ◽  
Pengfei Lu
Keyword(s):  
Energy Level ◽  
First Principles ◽  
Van Der Waals ◽  
Optoelectronic Properties ◽  
Type Ii ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

Energy level graphs of the monolayer PtSe2 and Cs2PbX4 in the (a) precontact and (b) contact. The Cs2PbBr4–PtSe2 heterostructure has a type-II level alignment which is conducive to spontaneously driving the holes and electrons to move forward in opposite directions.

scholarly journals Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN–GeC van der Waals heterostructures: a first principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (40) ◽  
pp. 24127-24133 ◽  
Author(s):  
Pham T. Huong ◽  
M. Idrees ◽  
B. Amin ◽  
Nguyen N. Hieu ◽  
Huynh V. Phuc ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Van Der Waals ◽  
Single Layer ◽  
Optoelectronic Properties ◽  
Optical Characteristics ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Vdw Heterostructure

In this work, we systematically studied the electronic structure and optical characteristics of van der Waals (vdW) heterostructure composed of a single layer of GaN and GeC using first principles calculations.

Van der Waals heterostructures of Janus XSeTe (X = Mo, W) and arsenene monolayers: A first principles study

2021 ◽  
Vol 123 ◽  
pp. 105588
Author(s):  
Huiqin Zhao ◽  
Feng Xie ◽  
Yushen Liu ◽  
Baoan Bian ◽  
Guofeng Yang ◽  
...  
Keyword(s):  
First Principles ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

A promising blue phosphorene/C2N van der Waals type-II heterojunction as a solar photocatalyst: a first-principles study

2020 ◽  
Vol 22 (2) ◽  
pp. 615-623 ◽  
Author(s):  
Chong Li ◽  
Ying Xu ◽  
Wei Sheng ◽  
Wen-Jin Yin ◽  
Guo-Zheng Nie ◽  
...  
Keyword(s):  
Band Structure ◽  
First Principles ◽  
Van Der Waals ◽  
Type Ii ◽  
First Principles Study ◽  
Carrier Separation ◽  
Solar Photocatalyst ◽  
Effective Carrier ◽  
Blue Phosphorene

An appropriate band structure and effective carrier separation are very important for the performance of a solar photocatalyst.

Robust type-II BP/AlN van der Waals heterostructure:a first-principles study

2021 ◽  
pp. 138989
Author(s):  
Lan Meng ◽  
Qinqin Huang ◽  
Chunsheng Liu ◽  
Heng Li ◽  
Wei Yan ◽  
...  
Keyword(s):  
First Principles ◽  
Van Der Waals ◽  
Type Ii ◽  
First Principles Study

Black phosphorene/monolayer transition-metal dichalcogenides as two dimensional van der Waals heterostructures: a first-principles study

2016 ◽  
Vol 18 (10) ◽  
pp. 7381-7388 ◽  
Author(s):  
Baiqing You ◽  
Xiaocha Wang ◽  
Zhida Zheng ◽  
Wenbo Mi
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
First Principles ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Black Phosphorene ◽  
Metal Dichalcogenides

The electronic structure of black phosphorene/XT2(X = Mo, W; T = S, Se, Te) two dimensional heterostructures is presented using the first-principles method.

Sign in / Sign up

Export Citation Format

Share Document