Theoretical studies on tunable electronic structures and potential applications of two-dimensional arsenene-based materials

Jun Zhao, Zheng Hang Qi, Yong Xu, Jun Dai, Xiao C Zeng, Wanlin Guo, Jing Ma

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Research efforts in the area of two-dimensional (2D) arsenene-based materials have been fueled up recently due to similarities in honeycomb atomic structures and differences in physical and chemical properties between arsenene and graphene. The pioneering prediction of monolayered arsenene in 2015 and successful synthesis of multilayered arsenene nanoribbons in 2016 have promoted intensive subsequent studies, especially in the theoretical aspect. Density functional theory computations not only revealed desirable fundamental band gap, structural stability, and high carrier mobility of various arsenene-based materials but also suggested promising applications in future optoelectronic and thermoelectric devices, as well as in the quantum spin Hall devices via surface functionalization and modulation of interlayer interactions. With an aim to present a comprehensive review on the tunable electronic structures of 2D arsenene-based materials, our focus is placed on the tailoring routes through surface functionalization to modify the electronic and optoelectronic properties of the arsenenes. An emphasis is also given to recent progress in designing topological states in arsenene monolayers. The challenges and outlooks are also laid out in aspects of experimental fabrication, device performance, and arsenene-based chemical reactions.

Original languageEnglish (US)
JournalWiley Interdisciplinary Reviews: Computational Molecular Science
DOIs
StateAccepted/In press - Jan 1 2018

Fingerprint

Electronic Structure
Electronic structure
Functionalization
Theoretical Models
Optoelectronics
electronic structure
Equipment and Supplies
Optoelectronic devices
Nanoribbons
Carbon Nanotubes
Structural Stability
Graphite
Honeycomb
Graphene
Carrier mobility
structural stability
Band Gap
optoelectronic devices
carrier mobility
Density Functional

Keywords

  • Arsenene
  • Band structure
  • Density functional theory
  • Electric field modulation
  • Strain engineering
  • Topological insulator

ASJC Scopus subject areas

  • Biochemistry
  • Computer Science Applications
  • Physical and Theoretical Chemistry
  • Computational Mathematics
  • Materials Chemistry

Cite this

Theoretical studies on tunable electronic structures and potential applications of two-dimensional arsenene-based materials. / Zhao, Jun; Qi, Zheng Hang; Xu, Yong; Dai, Jun; Zeng, Xiao C; Guo, Wanlin; Ma, Jing.

In: Wiley Interdisciplinary Reviews: Computational Molecular Science, 01.01.2018.

Research output: Contribution to journalArticle

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