8 research outputs found

    Distribution of food waste fractions in Makkah city [14].

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    <p>Distribution of food waste fractions in Makkah city [<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0171297#pone.0171297.ref014" target="_blank">14</a>].</p

    Resonant Bonding, Multiband Thermoelectric Transport, and Native Defects in n‑Type BaBiTe<sub>3–<i>x</i></sub>Se<sub><i>x</i></sub> (<i>x</i> = 0, 0.05, and 0.1)

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    The unique crystal structure of BaBiTe<sub>3</sub> containing Te···Te resonant bonds and its narrow band gap motivated the systematic study of the thermoelectric transport properties of BaBiTe<sub>3–<i>x</i></sub>Se<sub><i>x</i></sub> (<i>x</i> = 0, 0.05, and 0.1) presented here. This study gives insight in the chemical bonding and thermoelectric transport properties of BaBiTe<sub>3</sub>. The study shows that the presence of Te···Te resonant bonds in BaBiTe<sub>3</sub> is best described as a linear combination of interdigitating (Te<sup>1–</sup>)<sub>2</sub> side groups and infinite Te<sub>n</sub> chains. Rietveld X-ray structure refinements and extrinsic defect calculations reveal that the substitution of Te by Se occurs preferentially on the Te4 and Te5 sites, which are not involved in Te···Te bonding. This work strongly suggests that both multiband effects and native defects play an important role in the transport properties of BaBiTe<sub>3–<i>x</i></sub>Se<sub><i>x</i></sub> (<i>x</i> = 0, 0.05, and 0.1). The carrier concentration of BaBiTe<sub>3</sub> can be tuned via Se substitution (BaBiTe<sub>3–<i>x</i></sub>Se<sub><i>x</i></sub> with <i>x</i> = 0, 0.05, and 0.1) to values near those needed to optimize the thermoelectric performance. The thermal conductivity of BaBiTe<sub>3–<i>x</i></sub>Se<sub><i>x</i></sub> (<i>x</i> = 0, 0.05, and 0.1) is found to be remarkably low (ca. 0.4 Wm<sup>–1</sup>K<sup>–1</sup> at 600 K), reaching values close to the glass limit of BaBiSe<sub>3</sub> (0.34 W m<sup>–1</sup> K<sup>–1</sup>) and BaBiTe<sub>3</sub> (0.28 W m<sup>–1</sup> K<sup>–1</sup>). Calculations of the defect formation energies in BaBiTe<sub>3</sub> suggest the presence of native Bi<sub>Ba</sub><sup>+1</sup> and Te<sub>Bi</sub><sup>+1</sup> antisite defects, which are low in energy and likely responsible for the native n-type conduction and the high carrier concentration (ca. 10<sup>20</sup> cm<sup>–3</sup>) found for all samples. The analyses of the electronic structure of BaBiTe<sub>3</sub> and of the optical absorption spectra of BaBiTe<sub>3–<i>x</i></sub>Se<sub><i>x</i></sub> (<i>x</i> = 0, 0.05, 0.1, and 3) strongly suggest the presence of multiple electron pockets in the conduction band (CB) in all samples. These analyses also provide a possible explanation for the two optical transitions observed for BaBiTe<sub>3</sub>. High-temperature optical absorption measurements and thermoelectric transport analyses indicate that bands higher in the conduction band converge with the conduction band minimum (CBM) with increasing temperature and contribute to the thermoelectric transport properties of BaBiTe<sub>3</sub> and BaBiTe<sub>2.95</sub>Se<sub>0.05</sub>. This multiband contribution can account for the ∼50% higher <i>zT</i><sub>max</sub> of BaBiTe<sub>3</sub> and BaBiTe<sub>2.95</sub>Se<sub>0.05</sub> (∼0.4 at 617 K) compared to BaBiTe<sub>2.9</sub>Se<sub>0.1</sub> (∼0.2 at 617 K), for which no such contribution was found. The increase in the band offset between the CBM and bands higher in the conduction band with respect to the selenium content is one possible explanation for the absence of multiband effects in the thermoelectric transport properties of BaBiTe<sub>2.9</sub>Se<sub>0.1</sub>
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