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ChemInform Abstract: Synthesis, Structure, and Thermoelectric Properties of Barium Copper Polychalcogenides with Chalcogen-Centered Cu Clusters and Te2-2 Dumbbells.

✍ Scribed by Oottil Mayasree; Cheriyedath Raj Sankar; Yanjie Cui; Abdeljalil Assoud; Holger Kleinke

Book ID
102061577
Publisher
John Wiley and Sons
Year
2011
Weight
20 KB
Volume
42
Category
Article
ISSN
0931-7597

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✦ Synopsis

Synthesis, Structure, and Thermoelectric Properties of Barium Copper Polychalcogenides with Chalcogen-Centered Cu Clusters and Dumbbells. -BaCu5.72Se0.46Te6.54, BaCu5.93SeTe6, and BaCu5.92S0.986Te6.014 are synthesized from the elements (silica tubes, 663 K, 240 h) and characterized by single crystal XRD and DFT-based LMTO electronic band structure calculations. The compounds crystallize in the cubic space group Pm3 with Z = 1 in a hitherto unknown structure type comprising chalcogen-centered Cu atom clusters and dumbbells, while the Ba atoms are encapsulated in pentagonal Cu8Te12 dodecahedra. BaCu5.7Se0.6Te6.4 is a p-type semiconductor with moderate thermoelectric figure of merit, resulting from a combination of high Seebeck coefficient, low thermal conductivity, and low electrical conductivity.

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## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a β€œFull Text” option. The original article is trackable v