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• W3022382021 abstract "Current thermoelectric (TE) materials often have low performance or contain less abundant and/or toxic elements, thus limiting their large-scale applications. Therefore, new TE materials with high efficiency and low cost are strongly desirable. Here we demonstrate that SiS and SiSe monolayers made from nontoxic and earth-abundant elements intrinsically have low thermal conductivities arising from their low-frequency optical phonon branches with large overlaps with acoustic phonon modes, which is similar to the state-of-the-art experimentally demonstrated material SnSe with a layered structure. Together with high thermal power factors due to their two-dimensional nature, they show promising TE performances with large figure of merit (ZT) values exceeding 1 or 2 over a wide range of temperatures. We establish some basic understanding of identifying layered materials with low thermal conductivities, which can guide and stimulate the search and study of other layered materials for TE applications." @default.
• W3022382021 created "2020-05-13" @default.
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• W3022382021 date "2017-01-04" @default.
• W3022382021 modified "2023-09-26" @default.
• W3022382021 title "Earth-Abundant and Non-Toxic SiX (X = S, Se) Monolayers as Highly Efficient Thermoelectric Materials" @default.
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• W3022382021 doi "https://doi.org/10.1021/acs.jpcc.6b10163" @default.
• W3022382021 hasPublicationYear "2017" @default.
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