Abstract：
:In this work the chalcopyrite CuIn3Se5-xTex (x = 0~0.5) with space group through isoelectronic substitution of Te for Se have been prepared, and the crystal structure dilation has been observed with increasing Te content. This substitution allows the anion position displacement ∆u = 0.25-u to be zero at x ≈ 0.15. However, the material at x = 0.1 (∆u = 0.15 × 10-3), which is the critical Te content, presents the best thermoelectric (TE) performance with dimensionless figure of merit ZT = 0.4 at 930 K. As x value increases from 0.1, the quality factor B, which informs about how large a ZT can be expected for any given material, decreases, and the TE performance degrades gradually due to the reduction in nH and enhancement in κL. Combining with the ZTs from several chalcopyrite compounds, it is believable that the best thermoelectric performance can be achieved at a certain ∆u value (∆u ≠ 0) for a specific space group if their crystal structures can be engineered.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Lu Y,Chen S,Wu W,Du Z,Chao Y,Cui Jdoi
10.1038/srep40224subject
Has Abstractpub_date
2017-01-06 00:00:00pages
40224issn
2045-2322pii
srep40224journal_volume
7pub_type
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