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author:

Wen, Jiansen (Wen, Jiansen.) [1] | Xie, Maojie (Xie, Maojie.) [2] | Sa, Baisheng (Sa, Baisheng.) [3] (Scholars:萨百晟) | Miao, Naihua (Miao, Naihua.) [4] | Wen, Cuilian (Wen, Cuilian.) [5] (Scholars:温翠莲) | Wu, Bo (Wu, Bo.) [6] (Scholars:吴波) | Zhou, Jian (Zhou, Jian.) [7] | Sun, Zhimei (Sun, Zhimei.) [8]

Indexed by:

Scopus SCIE

Abstract:

Two-dimensional (2D) perovskites and InX (X=Se, Te) monolayers have garnered global attention due to their extraordinary performance as environment-friendly and low-cost candidates for photoelectric and photocatalytic applications. Herein, we provided a comprehensive understanding on the crystal structures, stabilities, electronic and optical properties of lead-free Cs3Bi2I9/InX (X=Se, Te) van der Waals (vdW) heterostructures as well as their potential applications in photoelectric conversion and photocatalysis based on density functional theory calculations. It is highlighted that Cs3Bi2I9/InX heterostructures exhibit significantly reduced bandgaps and enhanced light absorption capacity, along with noticeable improvements in carrier mobilities compared to their corresponding monolayers. By combining the type-II band edge natures with appropriate bandgap vales, Cs3Bi2I9/InX heterostructures hold tremendous potential in the fields of photoelectric conversion and photocatalysis applications. It is worth emphasizing that the maximum photoelectric conversion efficiencies of Cs3Bi2I9/InSe and Cs3Bi2I9/InTe heterostructure film solar cells are 24.11 % and 26.23 %, respectively. The present results will provide fundamental understanding and good theoretical guidance for rationally constructing vdW heterostructures based on 2D perovskites in the field of photo energy conversion.

Keyword:

Density functional theory calculations Photocatalysis Photoelectric conversion Two-dimensional lead-free perovskite Van der waals heterostructures

Community:

  • [ 1 ] [Wen, Jiansen]Fuzhou Univ, Multiscale Comp Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 2 ] [Xie, Maojie]Fuzhou Univ, Multiscale Comp Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 3 ] [Sa, Baisheng]Fuzhou Univ, Multiscale Comp Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 4 ] [Wen, Cuilian]Fuzhou Univ, Multiscale Comp Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 5 ] [Wu, Bo]Fuzhou Univ, Multiscale Comp Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China
  • [ 6 ] [Miao, Naihua]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 7 ] [Zhou, Jian]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 8 ] [Sun, Zhimei]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 9 ] [Miao, Naihua]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Comp Mat Sci, Beijing 100191, Peoples R China
  • [ 10 ] [Zhou, Jian]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Comp Mat Sci, Beijing 100191, Peoples R China
  • [ 11 ] [Sun, Zhimei]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Comp Mat Sci, Beijing 100191, Peoples R China

Reprint 's Address:

  • [Sa, Baisheng]Fuzhou Univ, Multiscale Comp Mat Facil & Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350108, Peoples R China;;[Miao, Naihua]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China;;[Sun, Zhimei]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China;;[Miao, Naihua]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Comp Mat Sci, Beijing 100191, Peoples R China;;[Sun, Zhimei]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Comp Mat Sci, Beijing 100191, Peoples R China;;

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SURFACES AND INTERFACES

ISSN: 2468-0230

Year: 2024

Volume: 48

5 . 7 0 0

JCR@2023

Cited Count:

WoS CC Cited Count: 1

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

Online/Total:209/10000582
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