scholarly journals Elastic Deformations in 2D van der waals Heterostructures and their Impact on Optoelectronic Properties: Predictions from a Multiscale Computational Approach

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Hemant Kumar ◽  
Dequan Er ◽  
Liang Dong ◽  
Junwen Li ◽  
Vivek B. Shenoy
Keyword(s):  
Van Der Waals ◽  
Computational Approach ◽  
Optoelectronic Properties ◽  
Van Der Waals Heterostructures ◽  
Elastic Deformations

Determination of optimum optoelectronic properties in vertically stacked MoS2/h-BN/WSe2 van der Waals heterostructures

2019 ◽  
Vol 21 (41) ◽  
pp. 23179-23186 ◽  
Author(s):  
Shilin Tan ◽  
Yipeng Zhao ◽  
Jiansheng Dong ◽  
Guowei Yang ◽  
Gang Ouyang
Keyword(s):  
Solar Cell ◽  
Conversion Efficiency ◽  
Van Der Waals ◽  
Optoelectronic Properties ◽  
Photoelectric Conversion Efficiency ◽  
Optimal Thickness ◽  
Photoelectric Conversion ◽  
Van Der Waals Heterostructures ◽  
Vdw Heterostructure

Inserting an insulator at the interface in vdW heterostructure solar cell unit can improve the photoelectric conversion efficiency, and the insulator has an optimal thickness.

scholarly journals New van der Waals Heterostructures Based on Borophene and Rhenium Sulfide/Selenide for Photovoltaics: An Ab Initio Study

2021 ◽  
Vol 11 (24) ◽  
pp. 11636
Author(s):  
Michael M. Slepchenkov ◽  
Dmitry A. Kolosov ◽  
Olga E. Glukhova
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Materials Science ◽  
Van Der Waals ◽  
Optoelectronic Properties ◽  
Visible Range ◽  
Van Der Waals Heterostructures ◽  
Uv Detectors ◽  
High Absorption Coefficient ◽  
Rhenium Sulfide

One of the urgent tasks of modern materials science is the search for new materials with improved optoelectronic properties for various applications of optoelectronics and photovoltaics. In this paper, using ab initio methods, we investigate the possibility of forming new types of van der Waals heterostructures based on monolayers of triangulated borophene, and monolayers of rhenium sulfide (ReS), and rhenium selenide (ReSe2), and predict their optoelectronic properties. Energy stable atomic configurations of borophene/ReS2 and borophene/ReSe2 van der Waals heterostructures were obtained using density functional theory (DFT) calculations in the Siesta software package. The results of calculating the density of electronic states of the obtained supercells showed that the proposed types of heterostructures are characterized by a metallic type of conductivity. Based on the calculated optical absorption and photocurrent spectra in the wavelength range of 200 to 2000 nm, it is found that borophene/ReS2 and borophene/ReSe2 heterostructures demonstrate a high absorption coefficient in the near- and far-UV(ultraviolet) ranges, as well as the presence of high-intensity photocurrent peaks in the visible range of electromagnetic radiation. Based on the obtained data of ab initio calculations, it is predicted that the proposed borophene/ReS2 and borophene/ReSe2 heterostructures can be promising materials for UV detectors and photosensitive materials for generating charge carriers upon absorption of light.

Monolayer MoSe2/NiO van der Waals heterostructures for infrared light-emitting diodes

2019 ◽  
Vol 7 (43) ◽  
pp. 13613-13621 ◽  
Author(s):  
Caiyun Wang ◽  
Zhe Kang ◽  
Zhi Zheng ◽  
Yanan Zhang ◽  
Louwen Zhang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Light Emitting Diodes ◽  
Van Der Waals ◽  
Optoelectronic Properties ◽  
Infrared Light ◽  
Metal Chalcogenides ◽  
Van Der Waals Heterostructures ◽  
Light Emitting ◽  
Transition Metal Chalcogenides

Nowadays monolayer transition metal chalcogenides (TMCs) have been widely researched due to their excellent optoelectronic properties.

Interfacial Interactions and Enhanced Optoelectronic Properties in CsSnI 3 –Black Phosphorus van der Waals Heterostructures

2019 ◽  
Vol 256 (10) ◽  
pp. 1800540 ◽  
Author(s):  
Du‐Juan Yang ◽  
Yuan‐Hao Du ◽  
Yu‐Qing Zhao ◽  
Zhuo‐Liang Yu ◽  
Meng‐Qiu Cai
Keyword(s):  
Van Der Waals ◽  
Black Phosphorus ◽  
Optoelectronic Properties ◽  
Interfacial Interactions ◽  
Van Der Waals Heterostructures

scholarly journals Synthesis of 2D Layered BiI3 Nanoplates, BiI3 /WSe2 van der Waals Heterostructures and Their Electronic, Optoelectronic Properties

Small ◽  
2017 ◽  
Vol 13 (38) ◽  
pp. 1701034 ◽  
Author(s):  
Jia Li ◽  
Xun Guan ◽  
Chen Wang ◽  
Hung-Chieh Cheng ◽  
Ruoqi Ai ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Optoelectronic Properties ◽  
Van Der Waals Heterostructures

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.

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.

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