The atomic-level structure of bandgap engineered double perovskite alloys Cs2AgIn1−xFexCl6

Ji, Fuxiang; Wang, Feng; Kobera, Libor; Abbrent, Sabina; Brus, Jiřı́; Ning, Weihua; Gao, Feng

doi:10.1039/d0sc05264g

Cited by 44 publications

(43 citation statements)

References 30 publications

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“…According to the previous reports for Cs 2 AgInCl 6 comprising [InCl 6 ] 3− octahedra, the solid-state 115 In NMR spectrum shows a peak at 42 ppm. 3,34,35 The small shift observed in our Cs 2 InCl 5 •H 2 O NCs might originate from the presence of water molecules in [InCl 5 (H 2 O)] 2− instead of [InCl 6 ] 3− of Cs 2 AgInCl 6 . However, the broadness of the spectrum makes such comparison difficult.…”

Section: Single Crystals Of Csmentioning

confidence: 86%

Colloidal Sb³⁺-Doped Cs₂InCl₅·H₂O Perovskite Nanocrystals with Temperature-Dependent Luminescence

et al. 2021

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Bulk crystals of Sb3+-doped A2InX5·H2O (A = Cs, Rb; X = Cl, Br) zero-dimensional (0D) perovskites exhibit a high photoluminescence (PL) quantum yield. Can we prepare their colloidal nanocrystals (NCs)? Such solution-processed nanocrystals will be useful for ink-based and thin-film technologies. Here, we present a facile route to synthesize colloidal Sb3+-doped Cs2InCl5·H2O NCs and explore their optical properties. Sb3+ ions with 5s2 outermost electrons yield intense (quantum yield 39%) green light emission. Temperature-dependent (6.5–300 K) PL provides a mechanistic origin of the excitation and emission processes. At room temperature, the undoped NCs emit blue light (2.8 eV, 435 nm) through localized defects, but below 200 K, near band-edge UV–blue emission (3.15 eV, 394 nm) is observed. Sb3+ doping introduces a new transition from relaxed excited 3P1 * to 1S0 state yielding green emission with a long (1.94 μs) lifetime. Colloidal Sb3+-doped Cs2InCl5·H2O NCs emitting intense green light along with a large Stokes shift and a long PL lifetime have potentials for solution-processed light-emitting applications.

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Section: Single Crystals Of Csmentioning

confidence: 86%

Colloidal Sb³⁺-Doped Cs₂InCl₅·H₂O Perovskite Nanocrystals with Temperature-Dependent Luminescence

et al. 2021

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“…Additionally, magnetic ions such as Fe 3+ can also be alloyed with Bi 3+ or In 3+ to decrease the bandgap of double perovskites, however, the Fe 3+ alloyed samples are less likely to be used in optoelectronic fields because of the PL quenching effect of Fe 3+ . [108][109][110] Instead, they offer possibilities for potential spin-electronic applications, which will be discussed later.…”

Section: Bandgap Engineeringmentioning

confidence: 99%

Lead‐Free Double Perovskite Cs₂AgBiBr₆: Fundamentals, Applications, and Perspectives

Lei

Hardy

Gao

2021

Adv Funct Materials

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238

160

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Cs 2 AgBiBr 6 , as a benchmark lead-free double perovskite, has emerged as a promising alternative to lead-based perovskites because of its high stability, non-toxicity, exceptional optoelectronic properties, and multifunctionality. To encourage further research on Cs 2 AgBiBr 6 and its broad applications, in this review, its fundamental properties including the structure-property relation, synthesis, stability, origin of absorption and photoluminescence, electronphonon coupling, role of defects, charge carrier dynamics, and bandgap modulation are comprehensively emphasized. The recent progress on the wide applications including solar cells, light/X-ray detectors, and ferroelectric/magnetic devices are highlighted. Moreover, the challenges of Cs 2 Ag-BiBr 6 materials and related applications are discussed and perspectives are provided for guiding the future development of this research area.

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“…Halide double perovskites with formula A 2 BB′X 6 (A and B are monovalent cations, B′ is a trivalent cation, and X is a halide anion) are stable in ambient conditions, but they do not show panchromatic visible light absorption like conventional ABX 3 perovskite systems. − To employ these stable materials in solar energy conversion devices, it is essential to tune the optical properties to enhance their absorption in the visible region. The decrease in the band gap of the double-perovskite materials is commonly achieved by two different methods: (i) by creating asymmetry in the octahedra formed by [BX 6 ] 5– and [B′X 6 ] 3– and (ii) by introducing new energy levels in the band gap ( E g ) via dopant atoms/ions. − …”

Section: Introductionmentioning

confidence: 99%

Role of Copper in Enhancing Visible Light Absorption in Cs₂Ag(Bi, In, Sb)Cl₆ Halide Double-Perovskite Materials

et al. 2021

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Halide perovskite materials with ABX3 show excellent photovoltaic properties, but their stability remains a serious concern. On the other hand, the double perovskite with two formula unit A2BB′X6 shows excellent stability, but their visible light absorption properties are inferior, which restricts them from being employed in solar energy conversion devices. The incorporation of dopant ions in the crystal structure is found to be an effective strategy to introduce the visible light absorption to these materials. In this work, copper is systematically substituted in the place of Ag+ (B site) in three different halide double perovskites, Cs2Ag(Bi/In/Sb)Cl6, and we explored their structural, optical, and electrochemical properties in detail. The role of copper in tuning the properties is found to be different in each of these materials. Only a small fraction of the dopant could be introduced in Cs2AgInCl6 (CAIC) and Cs2AgSbCl6 (CASC), and no copper could be incorporated in Cs2AgBiCl6 (CABC). The presence of Cu+ in the CAIC and CASC crystals (i) distorted the octahedra formed by [InCl6]3– and [SbCl6]3– and (ii) introduced states above the valence band affecting the optical properties. The Cu 3d orbitals are introduced very close to the valence band of CAIC, leading to a change in the absorption onset from 400 to 580 nm. However, for CASC the copper orbitals are pushed toward the conduction band, resulting in near IR absorption with an onset at ∼1300 nm. The color of CAIC changed from white to yellow, and CASC changed from yellow to black upon substitution of copper. Combining structural, optical, and electrochemical characterization experiments, we explained the role of copper in improving the visible light absorption in halide double perovskites.

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The atomic-level structure of bandgap engineered double perovskite alloys Cs₂AgIn_1−xFe_xCl₆

Abstract: Through Fe3+-alloying, the bandgap of benchmark double perovskite Cs2AgInCl6 can be tuned from 2.8 eV to 1.6 eV. The atomic-level structure of Cs2AgIn1−xFexCl6 was revealed by solid-state nuclear magnetic resonance (ssNMR).

Cited by 44 publications

References 30 publications

Colloidal Sb³⁺-Doped Cs₂InCl₅·H₂O Perovskite Nanocrystals with Temperature-Dependent Luminescence

Colloidal Sb³⁺-Doped Cs₂InCl₅·H₂O Perovskite Nanocrystals with Temperature-Dependent Luminescence

Lead‐Free Double Perovskite Cs₂AgBiBr₆: Fundamentals, Applications, and Perspectives

Role of Copper in Enhancing Visible Light Absorption in Cs₂Ag(Bi, In, Sb)Cl₆ Halide Double-Perovskite Materials

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The atomic-level structure of bandgap engineered double perovskite alloys Cs2AgIn1−xFexCl6

Abstract: Through Fe3+-alloying, the bandgap of benchmark double perovskite Cs2AgInCl6 can be tuned from 2.8 eV to 1.6 eV. The atomic-level structure of Cs2AgIn1−xFexCl6 was revealed by solid-state nuclear magnetic resonance (ssNMR).

Cited by 44 publications

References 30 publications

Colloidal Sb3+-Doped Cs2InCl5·H2O Perovskite Nanocrystals with Temperature-Dependent Luminescence

Colloidal Sb3+-Doped Cs2InCl5·H2O Perovskite Nanocrystals with Temperature-Dependent Luminescence

Lead‐Free Double Perovskite Cs2AgBiBr6: Fundamentals, Applications, and Perspectives

Role of Copper in Enhancing Visible Light Absorption in Cs2Ag(Bi, In, Sb)Cl6 Halide Double-Perovskite Materials

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The atomic-level structure of bandgap engineered double perovskite alloys Cs₂AgIn_1−xFe_xCl₆

Colloidal Sb³⁺-Doped Cs₂InCl₅·H₂O Perovskite Nanocrystals with Temperature-Dependent Luminescence

Colloidal Sb³⁺-Doped Cs₂InCl₅·H₂O Perovskite Nanocrystals with Temperature-Dependent Luminescence

Lead‐Free Double Perovskite Cs₂AgBiBr₆: Fundamentals, Applications, and Perspectives

Role of Copper in Enhancing Visible Light Absorption in Cs₂Ag(Bi, In, Sb)Cl₆ Halide Double-Perovskite Materials