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• W2792996798 abstract "New light is shed on the previously known perovskite material, Cs2Au2I6, as a potential active material for high-efficiency thin-film Pb-free photovoltaic cells. First-principles calculations demonstrate that Cs2Au2I6 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 Cs2Au2I6 a double-perovskite material, although it is stoichiometrically a single perovskite. In contrast to most previously discussed double perovskites, Cs2Au2I6 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 Cs2Au2I6 will serve as the active material in highly efficient, nontoxic, and thin-film perovskite solar cells in the very near future." @default.
• W2792996798 created "2018-03-29" @default.
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• W2792996798 date "2018-02-06" @default.
• W2792996798 modified "2023-10-16" @default.
• W2792996798 title "Mixed Valence Perovskite Cs ₂ Au ₂ I ₆ : A Potential Material for Thin‐Film Pb‐Free Photovoltaic Cells with Ultrahigh Efficiency" @default.
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• W2792996798 doi "https://doi.org/10.1002/adma.201707001" @default.
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