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231225s2018 xx |||||o 00| ||eng c |
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|a 10.1002/adma.201707001
|2 doi
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|a pubmed24n0935.xml
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|a (DE-627)NLM280651236
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|a eng
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|a Debbichi, Lamjed
|e verfasserin
|4 aut
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|a Mixed Valence Perovskite Cs2 Au2 I6
|b A Potential Material for Thin-Film Pb-Free Photovoltaic Cells with Ultrahigh Efficiency
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|c 2018
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 01.08.2018
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|a Date Revised 30.09.2020
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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|a New light is shed on the previously known perovskite material, Cs2 Au2 I6 , as a potential active material for high-efficiency thin-film Pb-free photovoltaic cells. First-principles calculations demonstrate that Cs2 Au2 I6 has an optimal band gap that is close to the Shockley-Queisser value. The band gap size is governed by intermediate band formation. Charge disproportionation on Au makes Cs2 Au2 I6 a double-perovskite material, although it is stoichiometrically a single perovskite. In contrast to most previously discussed double perovskites, Cs2 Au2 I6 has a direct-band-gap feature, and optical simulation predicts that a very thin layer of active material is sufficient to achieve a high photoconversion efficiency using a polycrystalline film layer. The already confirmed synthesizability of this material, coupled with the state-of-the-art multiscale simulations connecting from the material to the device, strongly suggests that Cs2 Au2 I6 will serve as the active material in highly efficient, nontoxic, and thin-film perovskite solar cells in the very near future
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|a Journal Article
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|a first-principles calculations
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|a lead-free perovskite solar cells
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|a mixed valency
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|a multiscale simulations
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|a thin film solar cells
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|a Lee, Songju
|e verfasserin
|4 aut
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|a Cho, Hyunyoung
|e verfasserin
|4 aut
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|a Rappe, Andrew M
|e verfasserin
|4 aut
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|a Hong, Ki-Ha
|e verfasserin
|4 aut
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|a Jang, Min Seok
|e verfasserin
|4 aut
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|a Kim, Hyungjun
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 30(2018), 12 vom: 10. März, Seite e1707001
|w (DE-627)NLM098206397
|x 1521-4095
|7 nnns
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|g volume:30
|g year:2018
|g number:12
|g day:10
|g month:03
|g pages:e1707001
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|u http://dx.doi.org/10.1002/adma.201707001
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