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Binary Co 4 Sb 12 skutterudite (also known as CoSb 3 ) has been extensively studied; however, its mixed-anion counterparts remain largely unexplored in terms of their phase stability and thermoelectric properties. In the search for complex anionic analogs of the binary skutterudite, we begin by investigating the Co 4 Sb 12 –Co 4 Sn 6 Te 6 pseudo-binary phase diagram. We observe no quaternary skutterudite phases and as such, focus our investigations on the ternary Co 4 Sn 6 Te 6 via experimental phase boundary mapping, transport measurements, and first-principles calculations. Phase boundary mapping using traditional bulk syntheses reveals that the Co 4 Sn 6 Te 6 exhibits electronic properties ranging from a degenerate p-type behavior to an intrinsic behavior. Under Sn-rich conditions, Hall measurements indicate degenerate p-type carrier concentrations and high hole mobility. The acceptor defect Sn Te , and donor defects Te Sn and Co i are the predominant defects and rationally correspond to regions of high Sn, Te, and Co, respectively. Consideration of the defect energetics indicates that p-type extrinsic doping is plausible; however, Sn Te is likely a killer defect that limits n-type dopability. We find that the hole carrier concentration in Co 4 Sn 6 Te 6 can be further optimized by extrinsic p-type doping under Sn-rich growth conditions.
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This content will become publicly available on December 11, 2025
Experimental and theoretical investigation of benzothiazole oxidation by OH in air and the role of O 2
Products of the oxidation of BTH by OH in air.
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- Award ID(s):
- 2303948
- PAR ID:
- 10579638
- Publisher / Repository:
- Royal Society of Chemistry
- Date Published:
- Journal Name:
- Environmental Science: Processes & Impacts
- Volume:
- 26
- Issue:
- 12
- ISSN:
- 2050-7887
- Page Range / eLocation ID:
- 2177 to 2188
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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