In:
Modern Physics Letters B, World Scientific Pub Co Pte Ltd, Vol. 35, No. 02 ( 2021-01-20), p. 2150047-
Abstract:
In this study, substitution effects of group 4 elements in Fe 2 TiSn thermoelectric material are studied by using density functional theory (DFT) and semi-classical Boltzmann transport theory. All of the substitution elements showed the most thermodynamic preference for the Sn site, and these substitutions for Fe 2 TiSn did not give much influence in the stability and mechanical property of Fe 2 TiSn. e 2 TiSn[Formula: see text]Pb[Formula: see text] , and thermoelectric calculations showed the prominence of [Formula: see text]-type on [Formula: see text] -type dopingin these materials. The highest Seebeck coefficients of these compounds were −148, −228, −165 and −120 [Formula: see text]V/K for [Formula: see text] -type of Fe 2 TiSn, Fe 2 TiSn[Formula: see text]Si[Formula: see text] , Fe 2 TiSn[Formula: see text]Ge[Formula: see text] and Fe 2 TiSn[Formula: see text]Pb[Formula: see text] , respectively. The results showed that Si and Ge partial substitutions for Fe 2 TiSn could be the effective methods to enhance the thermoelectric property, and the maximum dimensionless figure of merit (ZT) at room temperature reached about 0.7 ([Formula: see text]cm[Formula: see text] [Formula: see text]-type doping concentration) in Fe 2 TiSn[Formula: see text]Si[Formula: see text] and 0.6 ([Formula: see text]cm[Formula: see text] [Formula: see text]-type doping concentration) in Fe 2 TiSn[Formula: see text]Ge[Formula: see text] .
Type of Medium:
Online Resource
ISSN:
0217-9849
,
1793-6640
DOI:
10.1142/S0217984921500470
Language:
English
Publisher:
World Scientific Pub Co Pte Ltd
Publication Date:
2021
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