Jump to main content
Jump to site search

Issue 36, 2017
Previous Article Next Article

Structural properties of the thermoelectric material CuCrS2 and of deintercalated CuxCrS2 on different length scales: X-ray diffraction, pair distribution function and transmission electron microscopy studies

Author affiliations

Abstract

We report on the structural alterations of the thermoelectric material CuCrS2 introduced by the removal of 1/3 of the Cu+ ions which are located between CrS2 layers. X-ray diffraction (XRD) and pair distribution function (PDF) analyses revealed a newly formed Cu0.66CrS2 phase with monoclinic symmetry and a 3a superstructure. Simultaneously, a distortion of CrS6 octahedra is observed strongly indicating the oxidation of Cr3+ → Cr4+ leading to a Jahn–Teller distortion. The structural features extracted from XRD indicate a pronounced disorder in the cationic sub-lattice at moderate temperatures (400 K). Transmission electron microscopy (TEM) examination elucidates the formation of a second Cu0.66CrS2 phase without the superstructure, caused by incipient Cu+ mobility upon beam irradiation. The synergetic combination of high temperature XRD and TEM investigations unveiled the complete mechanism of the phase transition occurring at 503 K, where a transformation into the spinel CuCr2S4 and stoichiometric CuCrS2 occurs.

Graphical abstract: Structural properties of the thermoelectric material CuCrS2 and of deintercalated CuxCrS2 on different length scales: X-ray diffraction, pair distribution function and transmission electron microscopy studies

Back to tab navigation

Supplementary files

Publication details

The article was received on 04 Jul 2017, accepted on 23 Aug 2017 and first published on 24 Aug 2017


Article type: Paper
DOI: 10.1039/C7TC02983G
Citation: J. Mater. Chem. C, 2017,5, 9331-9338
  •   Request permissions

    Structural properties of the thermoelectric material CuCrS2 and of deintercalated CuxCrS2 on different length scales: X-ray diffraction, pair distribution function and transmission electron microscopy studies

    A. Hansen, T. Dankwort, H. Groß, M. Etter, J. König, V. Duppel, L. Kienle and W. Bensch, J. Mater. Chem. C, 2017, 5, 9331
    DOI: 10.1039/C7TC02983G

Search articles by author

Spotlight

Advertisements