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2D-3D transition in Cu-TiS2 system.
E G Shkvarina1, A A Titov1, A A Doroschek2
1Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620990 Yekaterinburg, Russia.
The Journal of Chemical Physics
|August 3, 2017
Summary
The phase diagram of copper-titanium disulfide (Cu-TiS2) intercalation compounds was studied. Copper atom distribution between crystal sites dictates phase stability, influencing transitions between layered and cubic structures with temperature.
Area of Science:
- Materials Science
- Solid State Chemistry
- Crystallography
Background:
- Understanding phase transitions in intercalation compounds is crucial for materials design.
- Copper-titanium disulfide (Cu-TiS2) exhibits complex structural behavior upon copper intercalation.
Purpose of the Study:
- To investigate the phase diagram of the quasi-binary Cu-TiS2 system for the first time.
- To elucidate the relationship between copper atom distribution and phase stability in Cu-TiS2.
Main Methods:
- In situ X-ray diffraction (XRD) was employed to study phase transitions.
- The study covered a temperature range of 20-1000 °C and copper concentrations (x) from 0 to 0.5.
Main Results:
- Phase transitions between 2D (layered) and 3D (cubic spinel) phases were observed.
- Layered phase stability is governed by copper atom distribution in octahedral and tetrahedral sites.
- Heating initially limits tetrahedral site occupation, favoring spinel formation, but further heating allows redistribution and re-stabilizes the layered phase.
Conclusions:
- The stability of the layered Cu-TiS2 phase is dynamically controlled by copper atom site occupancy.
- Temperature-induced changes in copper distribution drive reversible phase transitions between layered and cubic spinel structures.
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