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Dr. Antti J. Karttunen and Prof. Dr. Thomas F. Fässler Structural Principles and Thermoelectric Properties of Polytypic Group 14 Clathrate-II Frameworks ChemPhysChem 14

Version of Record online: 22 APR 2013 | DOI: 10.1002/cphc.201300133

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Anisotropic clathrates: Quantum chemical investigation shows the highly anisotropic hexagonal clathrate polytypes to be practically as stable as the experimentally known cubic member of the same structural family. The semiconducting group 14 clathrates are known to be efficient thermoelectric materials and the structural anisotropy of the novel hexagonal clathrate polytypes significantly affects their thermoelectric properties.

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