A full picture of intrinsic defects induced self-activation of elastic potential fluctuation within monolayered metal chalcogenide

Mingzi Sun, Bolong Huang (Corresponding Author)

Research output: Journal article publicationJournal articleAcademic researchpeer-review

1 Citation (Scopus)


Pursuing the precise structural identification of functional two-dimensional (2D) layered metal chalcogenides (LMCs) are key factors dominating the origins of the unique electronic and ferroelectric properties. However, the complicated phase change of In2Se3 and their high sensitivity towards the intrinsic defects still require the advanced technology to identify the origins of the inhomogeneous charge distribution induced in-plane and out-of-plane ferroelectricity. Herein, we have presented comprehensive theoretical research to reveal the simulated scanning tunneling microscope (STM) images as a toolbox for the experimental results to distinguish the structural features. Moreover, the corresponding electron-phonon behaviors of α-In2Se3 with major intrinsic defects provide pivotal references to explain the unique in-plane and out-of-plane electronic and ferroelectric properties in different applications, which is crucial for optimizing the growth of ultrathin 2D LMCs materials for future electronic devices.

Original languageEnglish
Article number104530
JournalNano Energy
Publication statusPublished - Apr 2020


  • Defect activated charge coupling
  • Density functional theory
  • Ferroelectricity
  • Layered metal chalcogenides
  • Mono-layered α-InSe
  • Scanning tunneling microscope

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)
  • Electrical and Electronic Engineering

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