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Role of CsMnCl3Nanocrystal Structure on Its Luminescence Properties

Matuhina, Anastasia ; Grandhi, G. Krishnamurthy ; Pan, Fang ; Liu, Maning LU orcid ; Ali-Löytty, Harri ; Ayedh, Hussein M. ; Tukiainen, Antti ; Smått, Jan Henrik ; Vähänissi, Ville and Savin, Hele , et al. (2023) In ACS Applied Nano Materials 6(2). p.953-965
Abstract

Cesium manganese chloride (CsMnCl3) nanocrystals (NCs) have recently been recognized as potential lead-free perovskite candidates for red emission. To ascertain how the luminescence properties depend on the NC structures formed under different synthesis conditions, we synthesized CsMnCl3NCs in two polymorphic structures, namely, cubic (c-CsMnCl3) and rhombohedral (r-CsMnCl3), by tuning the reaction temperature of a hot injection route. c-CsMnCl3NCs are found to be nonemissive, whereas r-CsMnCl3NCs exhibit red emission at 670 nm with a photoluminescence quantum yield of 40%. Density functional theory calculations reveal an indirect band gap for c-CsMnCl3-the... (More)

Cesium manganese chloride (CsMnCl3) nanocrystals (NCs) have recently been recognized as potential lead-free perovskite candidates for red emission. To ascertain how the luminescence properties depend on the NC structures formed under different synthesis conditions, we synthesized CsMnCl3NCs in two polymorphic structures, namely, cubic (c-CsMnCl3) and rhombohedral (r-CsMnCl3), by tuning the reaction temperature of a hot injection route. c-CsMnCl3NCs are found to be nonemissive, whereas r-CsMnCl3NCs exhibit red emission at 670 nm with a photoluminescence quantum yield of 40%. Density functional theory calculations reveal an indirect band gap for c-CsMnCl3-the electronic transitions between valence and conduction band edges are prohibited by orbital symmetry and spin. Conversely, r-CsMnCl3NCs possess a direct band gap. Further, transient absorption measurements suggest self-trapped exciton formation in r-CsMnCl3NCs, which contributes to their emission characteristics. Our proof-of-concept demonstration of photocurrent generated from the emitting r-CsMnCl3NCs indicates their suitability for luminescent solar concentrator applications. The findings of this work highlight the importance of understanding structure-luminescence relationship of emerging lead-free perovskites providing design criteria for red-emitting materials.

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publishing date
type
Contribution to journal
publication status
published
subject
keywords
CsMnCl, density functional theory, lead-free perovskite, luminescent solar concentrators, nanocrystals, self-trapped exciton, structure-property relationship
in
ACS Applied Nano Materials
volume
6
issue
2
pages
13 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • scopus:85146186449
ISSN
2574-0970
DOI
10.1021/acsanm.2c04342
language
English
LU publication?
no
id
95692548-2f1b-4156-8b85-a4fe01cac5f1
date added to LUP
2023-08-24 12:05:29
date last changed
2023-08-24 15:45:21
@article{95692548-2f1b-4156-8b85-a4fe01cac5f1,
  abstract     = {{<p>Cesium manganese chloride (CsMnCl<sub>3</sub>) nanocrystals (NCs) have recently been recognized as potential lead-free perovskite candidates for red emission. To ascertain how the luminescence properties depend on the NC structures formed under different synthesis conditions, we synthesized CsMnCl<sub>3</sub>NCs in two polymorphic structures, namely, cubic (c-CsMnCl<sub>3</sub>) and rhombohedral (r-CsMnCl<sub>3</sub>), by tuning the reaction temperature of a hot injection route. c-CsMnCl<sub>3</sub>NCs are found to be nonemissive, whereas r-CsMnCl<sub>3</sub>NCs exhibit red emission at 670 nm with a photoluminescence quantum yield of 40%. Density functional theory calculations reveal an indirect band gap for c-CsMnCl<sub>3</sub>-the electronic transitions between valence and conduction band edges are prohibited by orbital symmetry and spin. Conversely, r-CsMnCl<sub>3</sub>NCs possess a direct band gap. Further, transient absorption measurements suggest self-trapped exciton formation in r-CsMnCl<sub>3</sub>NCs, which contributes to their emission characteristics. Our proof-of-concept demonstration of photocurrent generated from the emitting r-CsMnCl<sub>3</sub>NCs indicates their suitability for luminescent solar concentrator applications. The findings of this work highlight the importance of understanding structure-luminescence relationship of emerging lead-free perovskites providing design criteria for red-emitting materials.</p>}},
  author       = {{Matuhina, Anastasia and Grandhi, G. Krishnamurthy and Pan, Fang and Liu, Maning and Ali-Löytty, Harri and Ayedh, Hussein M. and Tukiainen, Antti and Smått, Jan Henrik and Vähänissi, Ville and Savin, Hele and Li, Jingrui and Rinke, Patrick and Vivo, Paola}},
  issn         = {{2574-0970}},
  keywords     = {{CsMnCl; density functional theory; lead-free perovskite; luminescent solar concentrators; nanocrystals; self-trapped exciton; structure-property relationship}},
  language     = {{eng}},
  month        = {{01}},
  number       = {{2}},
  pages        = {{953--965}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{ACS Applied Nano Materials}},
  title        = {{Role of CsMnCl<sub>3</sub>Nanocrystal Structure on Its Luminescence Properties}},
  url          = {{http://dx.doi.org/10.1021/acsanm.2c04342}},
  doi          = {{10.1021/acsanm.2c04342}},
  volume       = {{6}},
  year         = {{2023}},
}