Assessment of hybrid organic-inorganic antimony sulfides for earth-abundant photovoltaic applications

Ruo Xi Yang, Keith T. Butler, Aron Walsh

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

Hybrid organic-inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is composed of 1D chains, 2D layers are formed in the ternary cesium and hybrid methylammonium antimony sulfide compounds. In each case, a stereochemically active Sb 5s2 lone pair is found, resulting in a distorted coordination environment for the Sb cations. The bandgap of the binary sulfide is found to increase, while the ionization potential also changes, upon transition to the more complex compounds. Based on the predicted electronic structure, device configurations are suggested to be suitable for photovoltaic applications.

Original languageEnglish
Pages (from-to)5009-5014
Number of pages6
JournalJournal of Physical Chemistry Letters
Volume6
Issue number24
Early online date1 Dec 2015
DOIs
Publication statusPublished - 17 Dec 2015

Fingerprint

Antimony
Sulfides
Earth (planet)
Solar absorbers
Cesium
Ionization potential
Electronic structure
Cations
Energy gap
Crystal structure
Positive ions
Semiconductor materials
methylamine

Keywords

  • organic-inorganic solar absorbers
  • perovskites
  • semiconductors
  • solar cells

Cite this

Assessment of hybrid organic-inorganic antimony sulfides for earth-abundant photovoltaic applications. / Yang, Ruo Xi; Butler, Keith T.; Walsh, Aron.

In: Journal of Physical Chemistry Letters, Vol. 6, No. 24, 17.12.2015, p. 5009-5014.

Research output: Contribution to journalArticle

Yang, Ruo Xi ; Butler, Keith T. ; Walsh, Aron. / Assessment of hybrid organic-inorganic antimony sulfides for earth-abundant photovoltaic applications. In: Journal of Physical Chemistry Letters. 2015 ; Vol. 6, No. 24. pp. 5009-5014.
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