Jump to main content
Jump to site search

Issue 17, 2019
Previous Article Next Article

The complex defect chemistry of antimony selenide

Author affiliations

Abstract

Antimony selenide, Sb2Se3, is a highly promising solar absorber material with excellent optoelectronic properties; solar cell efficiencies are now poised to exceed 10%, after a rapid rise over the past few years. However, the open-circuit voltage (Voc) of most cells remains low, and such a high Voc deficit, along with defect spectroscopy studies, suggest that recombination via deep trap states may be a limiting factor. A comprehensive study of all the intrinsic defects in Sb2Se3 is warranted – in this article, we calculate the formation energies and transition levels of these defects using hybrid Density Functional Theory. Our results demonstrate that cation–anion antisite defects have low formation energies, and possess multiple mid-gap transition levels, making them the most likely candidates for previously observed trap states, and possible recombination centres. Suppressing these dominant defects will be crucial for future cell development – thus we also present potential methods to counteract their detrimental effects and allow further improvement in efficiencies.

Graphical abstract: The complex defect chemistry of antimony selenide

Back to tab navigation

Supplementary files

Publication details

The article was received on 22 Feb 2019, accepted on 02 Apr 2019 and first published on 03 Apr 2019


Article type: Paper
DOI: 10.1039/C9TA02022E
Citation: J. Mater. Chem. A, 2019,7, 10739-10744
  • Open access: Creative Commons BY license
  •   Request permissions

    The complex defect chemistry of antimony selenide

    Christopher N. Savory and D. O. Scanlon, J. Mater. Chem. A, 2019, 7, 10739
    DOI: 10.1039/C9TA02022E

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements