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author:

Cui, Zhou (Cui, Zhou.) [1] | Huang, Chen (Huang, Chen.) [2] | Yu, Yadong (Yu, Yadong.) [3] | Xiong, Rui (Xiong, Rui.) [4] | Wen, Cuilian (Wen, Cuilian.) [5] (Scholars:温翠莲) | Sa, Baisheng (Sa, Baisheng.) [6] (Scholars:萨百晟)

Indexed by:

Scopus SCIE

Abstract:

Two-dimensional p-type/intrinsic/n-type (p-i-n) homojunction opens up exciting opportunities for the advancement of next-generation electronic and optoelectronic devices. However, it is urgent to explore superior two-dimensional materials for p-i-n homojunction to enhance optoelectronic performance. Herein, the electronic structures, optical properties of monolayer XYN3 (X=V, Nb, Ta; Y=Si, Ge), and the related p-i-n homojunctions are constructed and investigated systematically based on the framework of density function theory and non-equilibrium Green's function calculations. The electronic structures and optical absorption of these stable monolayers reveal that they show semiconductor characteristic with indirect bandgaps of 1.23 similar to 2.13 eV, which possess strong absorption of visible light. The simulations of the p-i-n homojunctions based on these monolayers highlight that VSiN3 and TaSiN3-based p-i-n junctions possess maximum photocurrent densities of 21.43 and 18.48 A/m(2), respectively. Moreover, the photoresponses of VSiN3 and TaSiN3-based p-i-n junctions can reach up to 0.61 and 0.55 A/W, respectively, demonstrating that VSiN3 and TaSiN3-based p-i-n junctions could be the ideal candidates for optoelectronic devices. Our work is expected to pave the way for the realization of 2D p-i-n homojunction optoelectronic devices.

Keyword:

Density functional theory Non-equilibrium Green's function Photocurrent density p-type/intrinsic/n-type homojunction Two-dimensional optoelectronic materials

Community:

  • [ 1 ] [Cui, Zhou]Fuzhou Univ, Multiscale Computat Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 2 ] [Huang, Chen]Fuzhou Univ, Multiscale Computat Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 3 ] [Xiong, Rui]Fuzhou Univ, Multiscale Computat Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 4 ] [Wen, Cuilian]Fuzhou Univ, Multiscale Computat Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 5 ] [Sa, Baisheng]Fuzhou Univ, Multiscale Computat Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 6 ] [Yu, Yadong]Acad Mil Sci, Inst Chem Def, Beijing 102205, Peoples R China

Reprint 's Address:

  • [Sa, Baisheng]Fuzhou Univ, Multiscale Computat Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China;;[Yu, Yadong]Acad Mil Sci, Inst Chem Def, Beijing 102205, Peoples R China;;

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SURFACES AND INTERFACES

ISSN: 2468-0230

Year: 2024

Volume: 54

5 . 7 0 0

JCR@2023

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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