Band gap engineering of Cs3Bi2I9 perovskites with trivalent atoms using a dual metal cation

Ki Ha Hong, Jongseob Kim, Lamjed Debbichi, Hyungjun Kim, Sang Hyuk Im

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Ternary metal halides (A3X2I9) have attracted considerable interest because they have good stability and reduced toxicity compared with Pb-based halide perovskites. The main issue with A3X2I9 is their band gap, which is relatively large for use in a single junction solar cell (1.9-2.2 eV for the Cs3Bi2I9). This theoretical study found that the band gap of Cs3Bi2I9 can be successfully modulated by using dual metal cations, i.e., by forming Cs3BiXI9 (X: trivalent cation). Among the various trivalent atoms investigated, In and Ga showed very promising band gap modulation behaviors. Additionally, the indirect band gap of Cs3Bi2I9 can be changed into a direct band gap.

Original languageEnglish
Pages (from-to)969-974
Number of pages6
JournalJournal of Physical Chemistry C
Volume121
Issue number1
DOIs
Publication statusPublished - 2017 Jan 1
Externally publishedYes

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perovskites
Cations
Energy gap
Positive ions
Metals
engineering
cations
Atoms
metals
atoms
Metal halides
metal halides
toxicity
halides
Toxicity
Solar cells
solar cells
Modulation
modulation

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

Band gap engineering of Cs3Bi2I9 perovskites with trivalent atoms using a dual metal cation. / Hong, Ki Ha; Kim, Jongseob; Debbichi, Lamjed; Kim, Hyungjun; Im, Sang Hyuk.

In: Journal of Physical Chemistry C, Vol. 121, No. 1, 01.01.2017, p. 969-974.

Research output: Contribution to journalArticle

Hong, Ki Ha ; Kim, Jongseob ; Debbichi, Lamjed ; Kim, Hyungjun ; Im, Sang Hyuk. / Band gap engineering of Cs3Bi2I9 perovskites with trivalent atoms using a dual metal cation. In: Journal of Physical Chemistry C. 2017 ; Vol. 121, No. 1. pp. 969-974.
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