Forschungs- & Entwicklungsinformationsdienst der Gemeinschaft - CORDIS

The crystal structure and charge density of Zn(4)Sb(3)

All rational design of new materials is based on precise information about the microscopic (atomic) structure of the material. This is because the properties of materials are determined by their atomic composition and 3D structure. Based on 3D structural information structure-property relations may be developed, which can lead to improved materials.

In the present result we have determined the crystal structure and charge density distribution of Zn(4)Sb(3) based on very accurate synchrotron radiation single crystal and powder diffraction measurements. The results are significantly at variance with previously reported results in the literature, and they provide the foundation for rationalising the outstanding thermoelectric properties of the material. The unique inter-metallic framework with amorphous regions of interstitial Zn makes it imperative to search for similar systems, which potentially could be extremely good thermoelectric materials.

More information on the NANOTHERMEL project can be found at:

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