The effect of B-site doping in all-inorganic CsPbIxBr3−x absorbers on the performance and stability of perovskite photovoltaics

Akman, Erdi; Öztürk, Teoman; Xiang, Wanchun; Sadegh, Faranak; Prochowicz, Daniel; Tavakoli, Mohammad Mahdi; Yadav, Pankaj; Yılmaz, Mücahit; Akın, Seçkin

doi:10.1039/d2ee01070d

Cited by 59 publications

(27 citation statements)

References 215 publications

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“…As a result, the exposed Pb acts as the adsorption active center, and the chemical stability of CsPbCl 3 decreases with the increase of Cl defects. Therefore, the partial substitution of Yb for Pb in CsPbCl 3 improves the formation energy of Cl defects, which is beneficial for reducing Cl defects and increases the chemical stability of CsPbCl 3 ( 28 , 56 ). These coincide to the experimental stability improvement of perovskites, demonstrating the great potential for improving the long-term stability, including the air and light stability by rare earth ion doping.…”

Section: Resultsmentioning

confidence: 99%

Atomic-scale imaging of ytterbium ions in lead halide perovskites

Xu,

Liu,

Dong

et al. 2023

Sci. Adv.

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Lanthanide-doped lead halide perovskites have demonstrated great potential for photoelectric applications. However, there is a long-standing controversy about the existence of lanthanide ions, e.g., whether the doping of Ln 3+ is successful or not; the substituting sites of Ln 3+ in lead halide perovskites are unclear. We directly identify the doped Yb 3+ in CsPbCl 3 perovskites by using the state-of-the-art transmission electron microscopy and three-dimensional atom probe tomography at atomic scale. Different from the previous assumptions and/or results, we evidence that Yb 3+ simultaneously replace Pb 2+ and occupy the lattice interstitial sites. Furthermore, we directly observe the cluster phenomenon of CsPbCl 3 single crystal at near atomic scale. Density functional theory modeling further confirms and explains the mechanisms of our findings. Our findings thus provide an atomic-level understanding of the doping mechanism in perovskites and will stimulate a further thinking of the doping effect on the performance of perovskites.

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Section: Resultsmentioning

confidence: 99%

Atomic-scale imaging of ytterbium ions in lead halide perovskites

Xu,

Liu,

Dong

et al. 2023

Sci. Adv.

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“…Thanks to their excellent optoelectronic properties, the wellknown all-inorganic lead halides CsPbX 3 (X = Br, Cl, and I) have been considered to be amongst the most potential optoelectronic materials. [1][2][3][4][5][6] Different devices such as lasers, photodetectors, solar cells, and light-emitting diodes (LED) [7][8][9] on the basis of lead-based perovskite compounds have been widely investigated. However, the toxic nature of lead and the instability of halide perovskite compounds under light conditions, high temperature, and moisture restrict the use of lead-halide perovskites in the future.…”

Section: Introductionmentioning

confidence: 99%

Lead-free double perovskite Cs₂MBiCl₆ (M = Ag, Cu): insights into the optical, dielectric, and charge transfer properties

Bechir

Dhaou

2023

RSC Adv.

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“…Perovskite solar cells (PSCs) are considered to have a substantial impact on the advancement of next-generation photovoltaics (PVs) according to prevailing beliefs; however, the most efficient PSCs are based on lead (Pb) perovskites. The presence of Pb in these devices has raised concerns about its potential hazards, which could impede or halt the commercialization process. − According to the authors’ best knowledge, first time, a CsSnI 3 perovskite-based Schottky solar cell ITO/CsSnI 3 /Au/Ti was introduced by Chen et al, which yielded a PCE of 0.9% . Subsequently, an n–i–p-type CsSnI 3 perovskite solar cell was reported in 2014 by Kumar et al with a PCE of 2.02% and high photocurrent density exceeding 22 mA cm –2 , However, due to the defects generated from the facile oxidation of Sn 2+ to Sn 4+ and the low formation energy of the Sn vacancy, the PCE of CsSnI 3 -based PSCs did not exhibit an obvious improvement for the next few years.…”

Section: Introductionmentioning

confidence: 99%

Device Simulation of a Thin-Layer CsSnI₃-Based Solar Cell with Enhanced 31.09% Efficiency

et al. 2023

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In the last decade, perovskite-based solar cells (PSCs) have become the hotspot in photovoltaic (PV) research around the globe because of their excellent photovoltaic performance in terms of their high-power conversion efficiency. However, the stability and existence of lead in the perovskite absorber layer hindered their use in practical applications. In the present study, we evaluated the numerical simulation-based performance of oxide/perovskite/oxide-type PSCs using the one-dimensional solar cell capacitance program (SCAPS-1D). Initially, the effect of various oxide-based electron transport layers (ETLs; TiO2, SnO2, and ZnO) and hole transport layers (HTLs; NiO, Cu2O, and CuO) on PSC performance was evaluated. It was found that a solar cell with TiO2 as an ETL and NiO as an HTL (FTO/n-TiO2/CsSnI3/p-NiO) exhibited the highest PV performance in terms of power conversion efficiency (PCE ∼ 30.57%), and other parameters were open circuit voltage (V OC ∼ 0.98 V), short circuit current density (J SC ∼ 35.17 mA/cm2) and fill factor (FF ∼ 88.43%). Next, we evaluated the effect of the thickness of TiO2, NiO, and CsSnI3 layers of the above-benchmarked device, along with their bulk and interface defects in detail. It is successfully demonstrated that the PCE and FF can further reach values of 31.09 and 88.39%, respectively, at a 1.25 μm thick CsSnI3 absorber with a band gap of E g ∼ 1.35 eV. The obtained results and detailed analysis will provide an important basis for the selection of CsSnI3 as an absorber with optimized defects.

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The effect of B-site doping in all-inorganic CsPbI_xBr_3−x absorbers on the performance and stability of perovskite photovoltaics

Abstract: Despite the impressive efficiency of perovskite solar cells (PSCs), their operational stability is still hindered by the thermodynamic instability of the hybrid organic-inorganic absorber layer with ABX3 structure (A: organic/inorganic...

Cited by 59 publications

References 215 publications

Atomic-scale imaging of ytterbium ions in lead halide perovskites

Atomic-scale imaging of ytterbium ions in lead halide perovskites

Lead-free double perovskite Cs₂MBiCl₆ (M = Ag, Cu): insights into the optical, dielectric, and charge transfer properties

Device Simulation of a Thin-Layer CsSnI₃-Based Solar Cell with Enhanced 31.09% Efficiency

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The effect of B-site doping in all-inorganic CsPbIxBr3−x absorbers on the performance and stability of perovskite photovoltaics

Abstract: Despite the impressive efficiency of perovskite solar cells (PSCs), their operational stability is still hindered by the thermodynamic instability of the hybrid organic-inorganic absorber layer with ABX3 structure (A: organic/inorganic...

Cited by 59 publications

References 215 publications

Atomic-scale imaging of ytterbium ions in lead halide perovskites

Atomic-scale imaging of ytterbium ions in lead halide perovskites

Lead-free double perovskite Cs2MBiCl6 (M = Ag, Cu): insights into the optical, dielectric, and charge transfer properties

Device Simulation of a Thin-Layer CsSnI3-Based Solar Cell with Enhanced 31.09% Efficiency

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The effect of B-site doping in all-inorganic CsPbI_xBr_3−x absorbers on the performance and stability of perovskite photovoltaics

Lead-free double perovskite Cs₂MBiCl₆ (M = Ag, Cu): insights into the optical, dielectric, and charge transfer properties

Device Simulation of a Thin-Layer CsSnI₃-Based Solar Cell with Enhanced 31.09% Efficiency