Comparison of the electronic, optical and photocatalytic properties of MoSe2, InN, and MoSe2/InN heterostructure nanosheet-A first-principle study

Ramesh Sivasamy; Franck Quero; Katherine Paredes-Gil; Khalid Mujasam Batoo; Muhammad Hadi; Emad H. Raslam

doi:10.1016/j.mssp.2021.105861

Comparison of the electronic, optical and photocatalytic properties of MoSe2, InN, and MoSe2/InN heterostructure nanosheet-A first-principle study

Ramesh Sivasamy, Franck Quero, Katherine Paredes-Gil, Khalid Mujasam Batoo, Muhammad Hadi, Emad H. Raslam

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

Abstract

Recently, investigation on two-dimensional (2D) metal dichalcogenides has attracted significant attention owing to their impressive electronic structure and optical properties for optoelectronics and photocatalytic applications. Nevertheless, the higher rate of the photo-generated carriers and the electron-hole recombination process limits their technological applications. A promising strategy may consist of constructing 2D heterostructures that could potentially enhance their photocatalytic activities. This work reports the structure, electronic structure, optical, interfacial, and photocatalytic properties of MoSe ₂/InN heterostructure nanosheet. The interfacial interaction between the MoSe ₂ and the InN layers was the van der Waals bonding type. The valence band edge and conduction band edge positions of consecutive layers were altered near the Fermi level and formed type-II band orientation. The electronic structure and work function results confirmed that heterojunction potentially possesses improved photocatalytic activity. This work provides the basics for the future development of various enhanced heterostructures for photocatalytic applications.

Original language	English
Article number	105861
Number of pages	5
Journal	Materials Science in Semiconductor Processing
Volume	131
Early online date	22 Apr 2021
DOIs	https://doi.org/10.1016/j.mssp.2021.105861
Publication status	Published (in print/issue) - 15 Aug 2021

Bibliographical note

Funding Information:
The author RS expresses his thanks to the FONDECYT-Chile for Project-N? 3170052, and authors KMB and MH are thankful to the Deanship of Scientific Research at King Saud University for financial support through the project Code (RG-1437-030). K.P-G. acknowledges to ?CONICYT + PAI + CONVOCATORIA NACIONAL SUBVENCI?N A INSTALACI?N EN LA ACADEMIA CONVOCATORIA A?O 2018 + PAI77180024? and to ANID through FONDECYT projects 11200264.

Funding Information:
The author RS expresses his thanks to the FONDECYT -Chile for Project-N◦ 3170052 , and authors KMB and MH are thankful to the Deanship of Scientific Research at King Saud University for financial support through the project Code ( RG-1437-030 ). K.P-G. acknowledges to “CONICYT + PAI + CONVOCATORIA NACIONAL SUBVENCIÓN A INSTALACIÓN EN LA ACADEMIA CONVOCATORIA AÑO 2018 + PAI77180024” and to ANID through FONDECYT projects 11200264.

Publisher Copyright:
© 2021 Elsevier Ltd

Keywords

Electronic structure
First-principle calculations
Heterostructure
Optical properties
Photocatalysis
Two-dimensional nanosheet

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10.1016/j.mssp.2021.105861

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@article{97e5f020d05141cbae018a343030b430,

title = "Comparison of the electronic, optical and photocatalytic properties of MoSe2, InN, and MoSe2/InN heterostructure nanosheet-A first-principle study",

abstract = "Recently, investigation on two-dimensional (2D) metal dichalcogenides has attracted significant attention owing to their impressive electronic structure and optical properties for optoelectronics and photocatalytic applications. Nevertheless, the higher rate of the photo-generated carriers and the electron-hole recombination process limits their technological applications. A promising strategy may consist of constructing 2D heterostructures that could potentially enhance their photocatalytic activities. This work reports the structure, electronic structure, optical, interfacial, and photocatalytic properties of MoSe 2/InN heterostructure nanosheet. The interfacial interaction between the MoSe 2 and the InN layers was the van der Waals bonding type. The valence band edge and conduction band edge positions of consecutive layers were altered near the Fermi level and formed type-II band orientation. The electronic structure and work function results confirmed that heterojunction potentially possesses improved photocatalytic activity. This work provides the basics for the future development of various enhanced heterostructures for photocatalytic applications. ",

keywords = "Electronic structure, First-principle calculations, Heterostructure, Optical properties, Photocatalysis, Two-dimensional nanosheet",

author = "Ramesh Sivasamy and Franck Quero and Katherine Paredes-Gil and Batoo, {Khalid Mujasam} and Muhammad Hadi and Raslam, {Emad H.}",

note = "Funding Information: The author RS expresses his thanks to the FONDECYT-Chile for Project-N? 3170052, and authors KMB and MH are thankful to the Deanship of Scientific Research at King Saud University for financial support through the project Code (RG-1437-030). K.P-G. acknowledges to ?CONICYT + PAI + CONVOCATORIA NACIONAL SUBVENCI?N A INSTALACI?N EN LA ACADEMIA CONVOCATORIA A?O 2018 + PAI77180024? and to ANID through FONDECYT projects 11200264. Funding Information: The author RS expresses his thanks to the FONDECYT -Chile for Project-N◦ 3170052 , and authors KMB and MH are thankful to the Deanship of Scientific Research at King Saud University for financial support through the project Code ( RG-1437-030 ). K.P-G. acknowledges to “CONICYT + PAI + CONVOCATORIA NACIONAL SUBVENCI{\'O}N A INSTALACI{\'O}N EN LA ACADEMIA CONVOCATORIA A{\~N}O 2018 + PAI77180024” and to ANID through FONDECYT projects 11200264. Publisher Copyright: {\textcopyright} 2021 Elsevier Ltd",

year = "2021",

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doi = "10.1016/j.mssp.2021.105861",

language = "English",

volume = "131",

journal = "Materials Science in Semiconductor Processing",

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AU - Sivasamy, Ramesh

AU - Quero, Franck

AU - Paredes-Gil, Katherine

AU - Batoo, Khalid Mujasam

AU - Hadi, Muhammad

AU - Raslam, Emad H.

N1 - Funding Information: The author RS expresses his thanks to the FONDECYT-Chile for Project-N? 3170052, and authors KMB and MH are thankful to the Deanship of Scientific Research at King Saud University for financial support through the project Code (RG-1437-030). K.P-G. acknowledges to ?CONICYT + PAI + CONVOCATORIA NACIONAL SUBVENCI?N A INSTALACI?N EN LA ACADEMIA CONVOCATORIA A?O 2018 + PAI77180024? and to ANID through FONDECYT projects 11200264. Funding Information: The author RS expresses his thanks to the FONDECYT -Chile for Project-N◦ 3170052 , and authors KMB and MH are thankful to the Deanship of Scientific Research at King Saud University for financial support through the project Code ( RG-1437-030 ). K.P-G. acknowledges to “CONICYT + PAI + CONVOCATORIA NACIONAL SUBVENCIÓN A INSTALACIÓN EN LA ACADEMIA CONVOCATORIA AÑO 2018 + PAI77180024” and to ANID through FONDECYT projects 11200264. Publisher Copyright: © 2021 Elsevier Ltd

PY - 2021/8/15

Y1 - 2021/8/15

N2 - Recently, investigation on two-dimensional (2D) metal dichalcogenides has attracted significant attention owing to their impressive electronic structure and optical properties for optoelectronics and photocatalytic applications. Nevertheless, the higher rate of the photo-generated carriers and the electron-hole recombination process limits their technological applications. A promising strategy may consist of constructing 2D heterostructures that could potentially enhance their photocatalytic activities. This work reports the structure, electronic structure, optical, interfacial, and photocatalytic properties of MoSe 2/InN heterostructure nanosheet. The interfacial interaction between the MoSe 2 and the InN layers was the van der Waals bonding type. The valence band edge and conduction band edge positions of consecutive layers were altered near the Fermi level and formed type-II band orientation. The electronic structure and work function results confirmed that heterojunction potentially possesses improved photocatalytic activity. This work provides the basics for the future development of various enhanced heterostructures for photocatalytic applications.

AB - Recently, investigation on two-dimensional (2D) metal dichalcogenides has attracted significant attention owing to their impressive electronic structure and optical properties for optoelectronics and photocatalytic applications. Nevertheless, the higher rate of the photo-generated carriers and the electron-hole recombination process limits their technological applications. A promising strategy may consist of constructing 2D heterostructures that could potentially enhance their photocatalytic activities. This work reports the structure, electronic structure, optical, interfacial, and photocatalytic properties of MoSe 2/InN heterostructure nanosheet. The interfacial interaction between the MoSe 2 and the InN layers was the van der Waals bonding type. The valence band edge and conduction band edge positions of consecutive layers were altered near the Fermi level and formed type-II band orientation. The electronic structure and work function results confirmed that heterojunction potentially possesses improved photocatalytic activity. This work provides the basics for the future development of various enhanced heterostructures for photocatalytic applications.

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KW - First-principle calculations

KW - Heterostructure

KW - Optical properties

KW - Photocatalysis

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DO - 10.1016/j.mssp.2021.105861

M3 - Article

SN - 1369-8001

VL - 131

JO - Materials Science in Semiconductor Processing

JF - Materials Science in Semiconductor Processing

M1 - 105861

ER -

Comparison of the electronic, optical and photocatalytic properties of MoSe2, InN, and MoSe2/InN heterostructure nanosheet-A first-principle study

Abstract

Bibliographical note

Keywords

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