Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals

Federico Locardi, Emanuela Sartori, Joka Buha, Juliette Zito, Mirko Prato, Valerio Pinchetti, Matteo L. Zaffalon, Maurizio Ferretti, Sergio Brovelli, Ivan Infante, Luca De Trizio, Liberato Manna

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

We report the composition-dependent optical properties of Bi-doped Cs2Ag1-xNaxInCl6 nanocrystals (NCs) having a double perovskite crystal structure. Their photoluminescence (PL) was characterized by a large Stokes shift, and the PL quantum yield increased with the amount of Na up to ∼22% for the Cs2Ag0.4Na0.6InCl6 stoichiometry. The presence of Bi3+ dopants was crucial to achieve high PL quantum yields (PLQYs) as nondoped NC systems were not emissive. Density functional theory calculations revealed that the substitution of Ag+ with Na+ leads to localization of AgCl6 energy levels above the valence band maximum, whereas doping with Bi3+ creates BiCl6 states below the conduction band minimum. As such, the PL emission stems from trapped emission between states localized in the BiCl6 and AgCl6 octahedra, respectively. Our findings indicated that both the partial replacement of Ag+ with Na+ ions and doping with Bi3+ cations are essential in order to optimize the PL emission of these systems.

Original languageEnglish
Pages (from-to)1976-1982
Number of pages7
JournalACS Energy Letters
Volume4
Issue number8
Early online date18 Jul 2019
DOIs
Publication statusPublished - 9 Aug 2019

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Perovskite
Nanocrystals
Photoluminescence
Doping (additives)
Quantum yield
Valence bands
Conduction bands
Stoichiometry
Electron energy levels
Density functional theory
Cations
Substitution reactions
Optical properties
Crystal structure
Positive ions
perovskite
Ions
Chemical analysis

Cite this

Locardi, F., Sartori, E., Buha, J., Zito, J., Prato, M., Pinchetti, V., ... Manna, L. (2019). Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals. ACS Energy Letters, 4(8), 1976-1982. https://doi.org/10.1021/acsenergylett.9b01274
Locardi, Federico ; Sartori, Emanuela ; Buha, Joka ; Zito, Juliette ; Prato, Mirko ; Pinchetti, Valerio ; Zaffalon, Matteo L. ; Ferretti, Maurizio ; Brovelli, Sergio ; Infante, Ivan ; De Trizio, Luca ; Manna, Liberato. / Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals. In: ACS Energy Letters. 2019 ; Vol. 4, No. 8. pp. 1976-1982.
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abstract = "We report the composition-dependent optical properties of Bi-doped Cs2Ag1-xNaxInCl6 nanocrystals (NCs) having a double perovskite crystal structure. Their photoluminescence (PL) was characterized by a large Stokes shift, and the PL quantum yield increased with the amount of Na up to ∼22{\%} for the Cs2Ag0.4Na0.6InCl6 stoichiometry. The presence of Bi3+ dopants was crucial to achieve high PL quantum yields (PLQYs) as nondoped NC systems were not emissive. Density functional theory calculations revealed that the substitution of Ag+ with Na+ leads to localization of AgCl6 energy levels above the valence band maximum, whereas doping with Bi3+ creates BiCl6 states below the conduction band minimum. As such, the PL emission stems from trapped emission between states localized in the BiCl6 and AgCl6 octahedra, respectively. Our findings indicated that both the partial replacement of Ag+ with Na+ ions and doping with Bi3+ cations are essential in order to optimize the PL emission of these systems.",
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Locardi, F, Sartori, E, Buha, J, Zito, J, Prato, M, Pinchetti, V, Zaffalon, ML, Ferretti, M, Brovelli, S, Infante, I, De Trizio, L & Manna, L 2019, 'Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals' ACS Energy Letters, vol. 4, no. 8, pp. 1976-1982. https://doi.org/10.1021/acsenergylett.9b01274

Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals. / Locardi, Federico; Sartori, Emanuela; Buha, Joka; Zito, Juliette; Prato, Mirko; Pinchetti, Valerio; Zaffalon, Matteo L.; Ferretti, Maurizio; Brovelli, Sergio; Infante, Ivan; De Trizio, Luca; Manna, Liberato.

In: ACS Energy Letters, Vol. 4, No. 8, 09.08.2019, p. 1976-1982.

Research output: Contribution to JournalArticleAcademicpeer-review

TY - JOUR

T1 - Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals

AU - Locardi, Federico

AU - Sartori, Emanuela

AU - Buha, Joka

AU - Zito, Juliette

AU - Prato, Mirko

AU - Pinchetti, Valerio

AU - Zaffalon, Matteo L.

AU - Ferretti, Maurizio

AU - Brovelli, Sergio

AU - Infante, Ivan

AU - De Trizio, Luca

AU - Manna, Liberato

PY - 2019/8/9

Y1 - 2019/8/9

N2 - We report the composition-dependent optical properties of Bi-doped Cs2Ag1-xNaxInCl6 nanocrystals (NCs) having a double perovskite crystal structure. Their photoluminescence (PL) was characterized by a large Stokes shift, and the PL quantum yield increased with the amount of Na up to ∼22% for the Cs2Ag0.4Na0.6InCl6 stoichiometry. The presence of Bi3+ dopants was crucial to achieve high PL quantum yields (PLQYs) as nondoped NC systems were not emissive. Density functional theory calculations revealed that the substitution of Ag+ with Na+ leads to localization of AgCl6 energy levels above the valence band maximum, whereas doping with Bi3+ creates BiCl6 states below the conduction band minimum. As such, the PL emission stems from trapped emission between states localized in the BiCl6 and AgCl6 octahedra, respectively. Our findings indicated that both the partial replacement of Ag+ with Na+ ions and doping with Bi3+ cations are essential in order to optimize the PL emission of these systems.

AB - We report the composition-dependent optical properties of Bi-doped Cs2Ag1-xNaxInCl6 nanocrystals (NCs) having a double perovskite crystal structure. Their photoluminescence (PL) was characterized by a large Stokes shift, and the PL quantum yield increased with the amount of Na up to ∼22% for the Cs2Ag0.4Na0.6InCl6 stoichiometry. The presence of Bi3+ dopants was crucial to achieve high PL quantum yields (PLQYs) as nondoped NC systems were not emissive. Density functional theory calculations revealed that the substitution of Ag+ with Na+ leads to localization of AgCl6 energy levels above the valence band maximum, whereas doping with Bi3+ creates BiCl6 states below the conduction band minimum. As such, the PL emission stems from trapped emission between states localized in the BiCl6 and AgCl6 octahedra, respectively. Our findings indicated that both the partial replacement of Ag+ with Na+ ions and doping with Bi3+ cations are essential in order to optimize the PL emission of these systems.

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JO - ACS Energy Letters

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SN - 2380-8195

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Locardi F, Sartori E, Buha J, Zito J, Prato M, Pinchetti V et al. Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals. ACS Energy Letters. 2019 Aug 9;4(8):1976-1982. https://doi.org/10.1021/acsenergylett.9b01274