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In this work, a record high thermoelectric figure‐of‐merit ZT of 1.6 ± 0.2 at 873 K in p‐type polycrystalline Bi0.94Pb0.06CuSe1.01O0.99 by a synergy of rational band manipulation and novel nanostructural design is reported. First‐principles density functional theory calculation results indicate that the density of state at the Fermi level that crosses the valence band can be significantly reduced...
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