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author:

Wen, Cuilian (Wen, Cuilian.) [1] (Scholars:温翠莲) | Zhang, Zhiyuan (Zhang, Zhiyuan.) [2] | Guo, Zhonglu (Guo, Zhonglu.) [3] | Shen, Jinni (Shen, Jinni.) [4] (Scholars:沈锦妮) | Sa, Baisheng (Sa, Baisheng.) [5] (Scholars:萨百晟) | Lin, Peng (Lin, Peng.) [6] | Zhou, Jian (Zhou, Jian.) [7] | Sun, Zhimei (Sun, Zhimei.) [8]

Indexed by:

EI Scopus SCIE

Abstract:

The atomically thin group III monochalcogenides have emerged as potential candidates for nanoscale optoelectronic applications due to their tunable bandgaps and high carrier mobility. In this work, by means of ab initio calculations, we have systematically investigated the geometrical structures, electronic structures, and optical properties of the orthogonal phase (O-phase) group III monochalcogenides MX (M=Ga and In, X=S, Se and Te) monolayers, nanoribbons, heterostructures and their potential applications as photocatalysts for water splitting. It is highlighted that the two-dimensional (2D) O-phase MX monolayers not only are dynamically and thermally stable, but also exhibit distinguished optical properties (10(5) cm(?1)) with broad absorption spectrum in the visible and ultraviolet light regions. Furthermore, it is noted that nano-structure designing can further modulate their electronic structures in desirable ways. For instance, the bandgap of O-phase GaTe is relevant to the width of 1D nanoribbon. On the other hand, the type-II InSe/GaTe and InTe/GaTe heterostructures confine the photo-generated electrons and holes at the opposite parts, which is beneficial for the separation of hydrogen and oxygen during the photocatalysis water splitting process.

Keyword:

2D materials group III monochalcogenides orthogonal phase photocatalytic water splitting

Community:

  • [ 1 ] [Wen, Cuilian]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 2 ] [Zhang, Zhiyuan]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 3 ] [Shen, Jinni]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 4 ] [Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 5 ] [Lin, Peng]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 6 ] [Wen, Cuilian]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 7 ] [Zhang, Zhiyuan]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 8 ] [Shen, Jinni]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 9 ] [Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 10 ] [Lin, Peng]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 11 ] [Guo, Zhonglu]Hebei Univ Technol, Sch Mat Sci & Engn, Hebei Key Lab Boron Nitride Micro & Nano Mat, Tianjin 300130, Peoples R China
  • [ 12 ] [Zhou, Jian]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 13 ] [Sun, Zhimei]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 14 ] [Zhou, Jian]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Computat Mat Engn, Beijing 100191, Peoples R China
  • [ 15 ] [Sun, Zhimei]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Computat Mat Engn, Beijing 100191, Peoples R China

Reprint 's Address:

  • 萨百晟

    [Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China;;[Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China;;[Sun, Zhimei]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China;;[Sun, Zhimei]Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Computat Mat Engn, Beijing 100191, Peoples R China

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Source :

JOURNAL OF PHYSICS-CONDENSED MATTER

ISSN: 0953-8984

Year: 2020

Issue: 6

Volume: 32

2 . 3 0 0

JCR@2023

ESI Discipline: PHYSICS;

ESI HC Threshold:115

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 14

SCOPUS Cited Count: 16

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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