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- W2954927201 abstract "Abstract The potential of an environmentally friendly and emerging chalcogenide perovskite CaZrSe 3 for thermoelectric applications is examined. The orthorhombic phase of CaZrSe 3 has an optimum band gap (1.35–1.40 eV) for single‐junction photovoltaic applications. The predictions reveal that CaZrSe 3 possesses an absorption coefficient of ≈4 × 10 5 cm −1 at photon energies of 2.5 eV with an early onset of optical absorption (≈0.2 eV) well below the optimum band gap. Seebeck coefficient, S , is inversely proportional to the carrier mobility as the calculated average effective mass for electrons is higher than for holes; p ‐type doping enhances the electrical conductivity, σ. The electronic thermal conductivity κ e remains low at all temperatures. The upper limit of the thermoelectric figure of merit (ZT e ) attains ≈1.0 when doped at specific chemical potentials, while a high Seebeck coefficient contributes to the ZT e = 1.95 at 50 K for p ‐type doping with 10 18 cm −3 carrier concentration, demonstrating high thermoelectric efficiency." @default.
- W2954927201 created "2019-07-12" @default.
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- W2954927201 date "2019-07-03" @default.
- W2954927201 modified "2023-09-30" @default.
- W2954927201 title "Doping and Anisotropy–Dependent Electronic Transport in Chalcogenide Perovskite CaZrSe<sub>3</sub> for High Thermoelectric Efficiency" @default.
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- W2954927201 doi "https://doi.org/10.1002/adts.201900060" @default.
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