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Cs3Cu4In2Cl13 Nanocrystals : A Perovskite-Related Structure with Inorganic Clusters at A Sites

Kaiukov, Roman ; Almeida, Guilherme ; Marras, Sergio ; Dang, Zhiya ; Baranov, Dmitry LU orcid ; Petralanda, Urko ; Infante, Ivan ; Mugnaioli, Enrico ; Griesi, Andrea and De Trizio, Luca , et al. (2020) In Inorganic Chemistry 59(1). p.548-554
Abstract

An effort to synthesize the Cu(I) variant of a lead-free double perovskite isostructural with Cs2AgInCl6 resulted in the formation of Cs3Cu4In2Cl13 nanocrystals with an unusual structure, as revealed by single-nanocrystal three-dimensional electron diffraction. These nanocrystals adopt a A2BX6 structure (K2PtCl6 type, termed vacancy ordered perovskite) with tetrahedrally coordinated Cu(I) ions. In the structure, 25% of the A sites are occupied by [Cu4Cl]3+ clusters (75% by Cs+), and the B sites are occupied by In3+. Such a Cs3Cu4In2Cl13... (More)

An effort to synthesize the Cu(I) variant of a lead-free double perovskite isostructural with Cs2AgInCl6 resulted in the formation of Cs3Cu4In2Cl13 nanocrystals with an unusual structure, as revealed by single-nanocrystal three-dimensional electron diffraction. These nanocrystals adopt a A2BX6 structure (K2PtCl6 type, termed vacancy ordered perovskite) with tetrahedrally coordinated Cu(I) ions. In the structure, 25% of the A sites are occupied by [Cu4Cl]3+ clusters (75% by Cs+), and the B sites are occupied by In3+. Such a Cs3Cu4In2Cl13 compound prepared at the nanoscale is not known in the bulk and is an example of a multinary metal halide with inorganic cluster cations residing in A sites. The stability of the compound was supported by density functional theory calculations that also revealed that its bandgap is direct but parity forbidden. The existence of the Cs3Cu4In2Cl13 structure demonstrates that small inorganic cluster cations can occupy A sites in multinary metal halides.

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publishing date
type
Contribution to journal
publication status
published
subject
in
Inorganic Chemistry
volume
59
issue
1
pages
7 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • scopus:85076758694
  • pmid:31829568
ISSN
0020-1669
DOI
10.1021/acs.inorgchem.9b02834
language
English
LU publication?
no
additional info
Publisher Copyright: © 2019 American Chemical Society.
id
1c045374-0d9d-431d-a4f4-d897c4807b96
date added to LUP
2023-01-17 11:58:48
date last changed
2024-08-09 18:52:12
@article{1c045374-0d9d-431d-a4f4-d897c4807b96,
  abstract     = {{<p>An effort to synthesize the Cu(I) variant of a lead-free double perovskite isostructural with Cs<sub>2</sub>AgInCl<sub>6</sub> resulted in the formation of Cs<sub>3</sub>Cu<sub>4</sub>In<sub>2</sub>Cl<sub>13</sub> nanocrystals with an unusual structure, as revealed by single-nanocrystal three-dimensional electron diffraction. These nanocrystals adopt a A<sub>2</sub>BX<sub>6</sub> structure (K<sub>2</sub>PtCl<sub>6</sub> type, termed vacancy ordered perovskite) with tetrahedrally coordinated Cu(I) ions. In the structure, 25% of the A sites are occupied by [Cu<sub>4</sub>Cl]<sup>3+</sup> clusters (75% by Cs<sup>+</sup>), and the B sites are occupied by In<sup>3+</sup>. Such a Cs<sub>3</sub>Cu<sub>4</sub>In<sub>2</sub>Cl<sub>13</sub> compound prepared at the nanoscale is not known in the bulk and is an example of a multinary metal halide with inorganic cluster cations residing in A sites. The stability of the compound was supported by density functional theory calculations that also revealed that its bandgap is direct but parity forbidden. The existence of the Cs<sub>3</sub>Cu<sub>4</sub>In<sub>2</sub>Cl<sub>13</sub> structure demonstrates that small inorganic cluster cations can occupy A sites in multinary metal halides.</p>}},
  author       = {{Kaiukov, Roman and Almeida, Guilherme and Marras, Sergio and Dang, Zhiya and Baranov, Dmitry and Petralanda, Urko and Infante, Ivan and Mugnaioli, Enrico and Griesi, Andrea and De Trizio, Luca and Gemmi, Mauro and Manna, Liberato}},
  issn         = {{0020-1669}},
  language     = {{eng}},
  month        = {{01}},
  number       = {{1}},
  pages        = {{548--554}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Inorganic Chemistry}},
  title        = {{Cs<sub>3</sub>Cu<sub>4</sub>In<sub>2</sub>Cl<sub>13</sub> Nanocrystals : A Perovskite-Related Structure with Inorganic Clusters at A Sites}},
  url          = {{http://dx.doi.org/10.1021/acs.inorgchem.9b02834}},
  doi          = {{10.1021/acs.inorgchem.9b02834}},
  volume       = {{59}},
  year         = {{2020}},
}