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

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.

The PtSe2/GaN van der Waals heterostructure photocatalyst with type II alignment: A first-principles study

2021 ◽  
Vol 624 ◽  
pp. 118332 ◽  
Author(s):  
Xianghui Meng ◽  
Yanqing Shen ◽  
Jiajia Liu ◽  
Lingling Lv ◽  
Xin Yang ◽  
...  
Keyword(s):  
First Principles ◽  
Van Der Waals ◽  
Type Ii ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

The InSe/SiH type-II van der Waals heterostructure as a promising water splitting photocatalyst: a first-principles study

2020 ◽  
Vol 22 (37) ◽  
pp. 21436-21444
Author(s):  
Wei Sheng ◽  
Ying Xu ◽  
Mingwei Liu ◽  
Guozheng Nie ◽  
Junnian Wang ◽  
...  
Keyword(s):  
Visible Light ◽  
Water Splitting ◽  
First Principles ◽  
High Efficiency ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

The type-II band alignment promotes InSe/SiH as a high efficiency photocatalyst for water splitting in visible light.

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.

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

First-principles study on the type-II g-C6N6/GaS heterojunction: A promising photocatalyst for water splitting

2020 ◽  
Vol 110 ◽  
pp. 108157
Author(s):  
Meng Sun ◽  
Xiumei Wei ◽  
Jianmin Zhang ◽  
Yuhong Huang ◽  
Gangqiang Zhu
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Type Ii ◽  
First Principles Study
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