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 journalArticlepeer-review

9 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 languageEnglish
Article number105861
Number of pages5
JournalMaterials Science in Semiconductor Processing
Volume131
Early online date22 Apr 2021
DOIs
Publication statusPublished - 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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