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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
Authors:
Wolfgang
Bensch
(Kiel University)
,
Anna-Lena
Hansen
(Kiel University)
,
Torben
Dankwort
(Kiel University)
,
Hendrik
Groß
(Kiel University)
,
Martin
Etter
(Deutsches Elektronen-Synchrotron (DESY))
,
Jan Daniel
König
(Fraunhofer Institute for Physical Measurement Techniques IPM)
,
Viola
Duppel
(Max Planck Institute for Solid State Research)
,
Lorenz
Kienle
(Kiel University)
Co-authored by industrial partner:
No
Type:
Journal Paper
Journal:
Journal Of Materials Chemistry C
State:
Published (Approved)
Published:
August 2017
Diamond Proposal Number(s):
14816
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 form 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.
Subject Areas:
Materials,
Chemistry
Instruments:
I15-Extreme Conditions
Other Facilities: P02.1 at Petra III (DESY, Hamburg)
Added On:
29/08/2017 10:01
Discipline Tags:
Quantum Materials
Physical Chemistry
Chemistry
Materials Science
Thermoelectrics
Technical Tags:
Diffraction
Scattering
X-ray Powder Diffraction
Pair Distribution Function (PDF)