Tuning Crystal Structures and Thermoelectric Properties through Al Doping in ReSi1.75
(2017) In European Journal of Inorganic Chemistry 2017(1). p.47-55- Abstract
Binary rhenium silicide, ReSi1.75, and its aluminium-doped variants have been synthesized. Their crystal structures were characterized by X-ray diffraction, solved and refined through the use of superspace group models. The binary undoped ReSi1.75 is a commensurate (supercell) structure of the previously well-known MoSi2-type structure. Al doping renders an incommensurate structure that was solved and refined, and reported for the first time. The thermoelectric properties of these compounds were also measured, including their electrical resistivities, thermal conductivities, and Seebeck coefficients. Compared with the commensurate structure of binary ReSi1.75, the Al-doped incommensurate phase... (More)
Binary rhenium silicide, ReSi1.75, and its aluminium-doped variants have been synthesized. Their crystal structures were characterized by X-ray diffraction, solved and refined through the use of superspace group models. The binary undoped ReSi1.75 is a commensurate (supercell) structure of the previously well-known MoSi2-type structure. Al doping renders an incommensurate structure that was solved and refined, and reported for the first time. The thermoelectric properties of these compounds were also measured, including their electrical resistivities, thermal conductivities, and Seebeck coefficients. Compared with the commensurate structure of binary ReSi1.75, the Al-doped incommensurate phase exhibits lower lattice thermal conductivity, lower electrical resistivity, a higher Seebeck coefficient, and ultimately a much higher figure of merit (ZT). The cause of the structural incommensuration by Al doping was studied through the use of first-principle calculations. The relationship between the incommensurability and the improved thermoelectric properties is also discussed.
(Less)
- author
- Wang, Fei LU ; Veremchuk, Igor and Lidin, Sven LU
- organization
- publishing date
- 2017-01-03
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Ab initio calculations, Aluminium, Rhenium, Thermoelectric materials, X-ray diffraction
- in
- European Journal of Inorganic Chemistry
- volume
- 2017
- issue
- 1
- pages
- 9 pages
- publisher
- John Wiley & Sons Inc.
- external identifiers
-
- scopus:85007454010
- wos:000393404800006
- ISSN
- 1434-1948
- DOI
- 10.1002/ejic.201600792
- language
- English
- LU publication?
- yes
- id
- cd296838-0df0-4833-86af-ba6ea0b29b5f
- date added to LUP
- 2017-03-03 08:14:51
- date last changed
- 2024-04-14 06:25:01
@article{cd296838-0df0-4833-86af-ba6ea0b29b5f, abstract = {{<p>Binary rhenium silicide, ReSi<sub>1.75</sub>, and its aluminium-doped variants have been synthesized. Their crystal structures were characterized by X-ray diffraction, solved and refined through the use of superspace group models. The binary undoped ReSi<sub>1.75</sub> is a commensurate (supercell) structure of the previously well-known MoSi<sub>2</sub>-type structure. Al doping renders an incommensurate structure that was solved and refined, and reported for the first time. The thermoelectric properties of these compounds were also measured, including their electrical resistivities, thermal conductivities, and Seebeck coefficients. Compared with the commensurate structure of binary ReSi<sub>1.75</sub>, the Al-doped incommensurate phase exhibits lower lattice thermal conductivity, lower electrical resistivity, a higher Seebeck coefficient, and ultimately a much higher figure of merit (ZT). The cause of the structural incommensuration by Al doping was studied through the use of first-principle calculations. The relationship between the incommensurability and the improved thermoelectric properties is also discussed.</p>}}, author = {{Wang, Fei and Veremchuk, Igor and Lidin, Sven}}, issn = {{1434-1948}}, keywords = {{Ab initio calculations; Aluminium; Rhenium; Thermoelectric materials; X-ray diffraction}}, language = {{eng}}, month = {{01}}, number = {{1}}, pages = {{47--55}}, publisher = {{John Wiley & Sons Inc.}}, series = {{European Journal of Inorganic Chemistry}}, title = {{Tuning Crystal Structures and Thermoelectric Properties through Al Doping in ReSi<sub>1.75</sub>}}, url = {{http://dx.doi.org/10.1002/ejic.201600792}}, doi = {{10.1002/ejic.201600792}}, volume = {{2017}}, year = {{2017}}, }