Depth-resolved band alignments of perovskite solar cells with significant interfacial effects

Eom, Kiryung; Kwon, Uisik; Kalanur, Shankara S.; Park, Hui Joon; Seo, Hyungtak

doi:10.1039/c6ta09493g

Cited by 46 publications

(26 citation statements)

References 34 publications

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“…From the absorbance spectrum, it is possible to estimate the optical band gap of the two types of PeNPs from a Tauc plot, (Figure S3 in the Supporting Information). The calculated band gaps match closely: 2.40 and 2.37 eV for the RT and HI methods, respectively (Figure S3 in the Supporting Information) . These results are in good agreement with previous reports that have been used as a reference for this study .…”

Section: Resultssupporting

confidence: 91%

A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr₃) Synthesized at Room Temperature and by a Hot‐Injection Method

et al. 2018

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Perovskite nanoparticles (PeNPs) have been extensively studied for optoelectronic applications, owing to their extremely high photoluminescence quantum yield, tunable band gap, and exceptionally narrow emission spectra. Therefore, PeNPs are considered excellent candidates for the development of high‐efficiency, low‐cost, wide‐gamut, and high‐purity color displays. However, their synthesis typically involves multistep cumbersome processes that might hinder commercial development. Herein, green light‐emitting diodes (LEDs) prepared by using all‐inorganic PeNPs CsPbBr3 synthesized at room temperature (RT) are reported and their performance compared with those prepared by a traditional hot‐injection method. Insights into the morphology and optoelectronic properties of RT PeNPs are provided through AFM and TEM and employing them in LEDs.

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Section: Resultssupporting

confidence: 91%

A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr₃) Synthesized at Room Temperature and by a Hot‐Injection Method

et al. 2018

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“…The computed absorption coefficient curves of A 2 AgRhCl 6 show an onset around 1.1 and 1.3 eV; these are consistent with the SCF bandgaps predicted with SCAN-rVV10 ( Table S2). The Tauc plot, Figure 5B, provides similar insight, since it is often used to extract the bandgaps from experimental absorption spectra (Eom et al, 2017;Tang et al, 2017;Habibi and Eslamian, 2018;Ji et al, 2018). The peak feature in the visible region with an appreciable absorption coefficient is a strong indication that A 2 AgRhCl 6 are potential candidates for possible optoelectronic applications.…”

Section: Optical Propertiesmentioning

confidence: 91%

The Cs2AgRhCl6 Halide Double Perovskite: A Dynamically Stable Lead-Free Transition-Metal Driven Semiconducting Material for Optoelectronics

Varadwaj

Marques

2020

Front. Chem.

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A-Site doping with alkali ions, and/or metal substitution at the B and B ′-sites, are among the key strategies in the innovative development of A 2 BB ′ X 6 halide double perovskite semiconducting materials for application in energy and device technologies. To this end, we have investigated an intriguing series of five halide-based non-toxic systems, A 2 AgRhCl 6 (A = Li, Na, K, Rb, and Cs), using density functional theory at the SCAN-rVV10 level. The lattice stability and bonding properties emanating from this study of A 2 AgRhCl 6 matched well with those that have already been synthesized, characterized and discussed [viz. Cs 2 AgBiX 6 (X = Cl, Br)]. Exploration of traditional and recently proposed tolerance factors has enabled us to identify A 2 AgRhCl 6 (A = K, Rb and Cs) as stable double perovskites. The band structure and density of states calculations suggested that the electronic transition from the top of the valence band [Cl(3p)+Rh(4d)] to the bottom of the conduction band [(Cl(3p)+Rh(4d)] is inherently direct at the X-point of the first Brillouin zone. The (non-spin polarized) bandgap of these materials was found in the range 0.57-0.65 eV with SCAN-rVV10, which were substantially smaller than those computed with hybrid HSE06 and PBE0, and quasi-particle GW methods. This, together with the appreciable refractive index and high absorption coefficient in the region covering the range 1.0-4.5 eV, enabled us to demonstrate that A 2 AgRhCl 6 (A = K, Rb, and Cs) are likely candidate materials for photoelectric applications. The results of our phonon calculations at the harmonic level suggested that the Cs 2 AgRhCl 6 is the only system that is dynamically stable (no imaginary frequencies found around the high symmetry lines of the reciprocal lattice), although the elastic moduli properties suggested all five systems examined are mechanically stable. Keywords: A 2 AgRhCl 6 halide double perovskites, first-principles studies, optoelectronic properties, geometrical, dynamical and mechanical stabilities, DOS and band structures Varadwaj and Marques Stable Halide Double Perovskites

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“…Semiconductor heterostructures, having tailorable band structures, are important components for high-performance electronics and optoelectronics. [1][2][3][4][5] In such heterostructures, engineering the offsets of the conduction/valence bands at the heterointerfaces between the incorporated semiconductors gives rise to widely tunable electronic behavior. [1] Typically, when semiconductors of distinctive bandgaps are stacked together, three types of heterostructures can be attained based on the designed band alignments, i.e., type-I (symmetric), type-II (staggered), and type-III (broken) alignments.…”

Section: Doi: 101002/adma202005166mentioning

confidence: 99%

Engineering Band‐Type Alignment in CsPbBr₃ Perovskite‐Based Artificial Multiple Quantum Wells

et al. 2021

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Semiconductor heterostructures of multiple quantum wells (MQWs) have major applications in optoelectronics. However, for halide perovskites—the leading class of emerging semiconductors—building a variety of bandgap alignments (i.e., band‐types) in MQWs is not yet realized owing to the limitations of the current set of used barrier materials. Here, artificial perovskite‐based MQWs using 2,2′,2″‐(1,3,5‐benzinetriyl)‐tris(1‐phenyl‐1‐H‐benzimidazole), tris‐(8‐hydroxyquinoline)aluminum, and 2,9‐dimethyl‐4,7‐diphenyl‐1,10‐phenanthroline as quantum barrier materials are introduced. The structures of three different five‐stacked perovskite‐based MQWs each exhibiting a different band offset with CsPbBr3 in the conduction and valence bands, resulting in a variety of MQW band alignments, i.e., type‐I or type‐II structures, are shown. Transient absorption spectroscopy reveals the disparity in charge carrier dynamics between type‐I and type‐II MQWs. Photodiodes of each type of perovskite artificial MQWs show entirely different carrier behaviors and photoresponse characteristics. Compared with bulk perovskite devices, type‐II MQW photodiodes demonstrate a more than tenfold increase in the rectification ratio. The findings open new opportunities for producing halide‐perovskite‐based quantum devices by bandgap engineering using simple quantum barrier considerations.

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Depth-resolved band alignments of perovskite solar cells with significant interfacial effects

Abstract: The band alignment in heterojunction solar cells, including perovskite solar cells (PSCs), is critically related to power conversion efficiency (PCE) improvement as it has a significant effect on the control of photocarrier transport.

Cited by 46 publications

References 34 publications

A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr₃) Synthesized at Room Temperature and by a Hot‐Injection Method

A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr₃) Synthesized at Room Temperature and by a Hot‐Injection Method

The Cs2AgRhCl6 Halide Double Perovskite: A Dynamically Stable Lead-Free Transition-Metal Driven Semiconducting Material for Optoelectronics

Engineering Band‐Type Alignment in CsPbBr₃ Perovskite‐Based Artificial Multiple Quantum Wells

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Depth-resolved band alignments of perovskite solar cells with significant interfacial effects

Abstract: The band alignment in heterojunction solar cells, including perovskite solar cells (PSCs), is critically related to power conversion efficiency (PCE) improvement as it has a significant effect on the control of photocarrier transport.

Cited by 46 publications

References 34 publications

A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr3) Synthesized at Room Temperature and by a Hot‐Injection Method

A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr3) Synthesized at Room Temperature and by a Hot‐Injection Method

The Cs2AgRhCl6 Halide Double Perovskite: A Dynamically Stable Lead-Free Transition-Metal Driven Semiconducting Material for Optoelectronics

Engineering Band‐Type Alignment in CsPbBr3 Perovskite‐Based Artificial Multiple Quantum Wells

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A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr₃) Synthesized at Room Temperature and by a Hot‐Injection Method

A Comparative Study of Light‐Emitting Diodes Based on All‐Inorganic Perovskite Nanoparticles (CsPbBr₃) Synthesized at Room Temperature and by a Hot‐Injection Method

Engineering Band‐Type Alignment in CsPbBr₃ Perovskite‐Based Artificial Multiple Quantum Wells