Metal phosphides as potential thermoelectric materials
(2017) Journal of Materials Chemistry C — Vol. 5, p. 12441-12456 (2017)
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- Abstract
- There still exists a crucial need for new thermoelectric materials to efficiently recover waste heat as electrical energy. Although metal phosphides are stable and can exhibit excellent electronic properties, they have traditionally been verlooked as thermoelectrics due to expectations of displaying high thermal conductivity. Based on high-throughput computational screening of the electronic properties of over 48 000 inorganic compounds, we find that several metal phosphides offer considerable promise as thermoelectric materials, with excellent potential electronic properties (e.g. due to multiple valley degeneracy). In addition to the electronic band structure, the phonon dispersion curves of various metal phosphides were computed indicating low-frequency acoustic modes that could lead to low thermal conductivity. Several metal phosphides exhibit pro
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Citations
Pöhls, J.-H., Faghaninia, A., Petretto, G., Aydemir, U., Ricci, F., Li, G., Wood, M., Ohno, S., Hautier, G., Snyder, G. J., Rignanese, G.-M., Jain, A., & White, M. A. (2017). Metal phosphides as potential thermoelectric materials. Journal of Materials Chemistry C, 5, 12441-12456. https://doi.org/10.1039/c7tc03948d (Original work published 2017)