YCuTe2: a member of a new class of thermoelectric materials with CuTe4-based layered structure
| Autor: | Hong Zhu, Gerbrand Ceder, G. Jeffrey Snyder, Jan-Hendrik Pöhls, Mark Asta, Zachary M. Gibbs, Mary Anne White, Saurabh Bajaj, Danny Broberg, Anubhav Jain, Saneyuki Ohno, Umut Aydemir, Geoffroy Hautier, Guodong Li, Wei Chen, Stephen Dongmin Kang, Kristin A. Persson |
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| Rok vydání: | 2016 |
| Předmět: |
Phase transition
Materials science Renewable Energy Sustainability and the Environment Doping Analytical chemistry 02 engineering and technology General Chemistry Crystal structure Electronic structure 010402 general chemistry 021001 nanoscience & nanotechnology Thermoelectric materials 01 natural sciences 0104 chemical sciences Crystallography Differential scanning calorimetry Phase (matter) Thermoelectric effect General Materials Science 0210 nano-technology |
| Zdroj: | Journal of Materials Chemistry A. 4:2461-2472 |
| ISSN: | 2050-7496 2050-7488 |
| DOI: | 10.1039/c5ta10330d |
| Popis: | Intrinsically doped samples of YCuTe2 were prepared by solid state reaction of the elements. Based on the differential scanning calorimetry and the high temperature X-ray diffraction analyses, YCuTe2 exhibits a first order phase transition at ∼440 K from a low-temperature-phase crystallizing in the space group Pm1 to a high-temperature-phase in P. Above the phase transition temperature, partially ordered Cu atoms become completely disordered in the crystal structure. Small increases to the Cu content are observed to favour the formation of the high temperature phase. We find no indication of superionic Cu ions as for binary copper chalcogenides (e.g., Cu2Se or Cu2Te). All investigated samples exhibit very low thermal conductivities (as low as ∼0.5 W m−1 K−1 at 800 K) due to highly disordered Cu atoms. Electronic structure calculations are employed to better understand the high thermoelectric efficiency for YCuTe2. The maximum thermoelectric figure of merit, zT, is measured to be ∼0.75 at 780 K for Y0.96Cu1.08Te2, which is promising for mid-temperature thermoelectric applications. |
| Databáze: | OpenAIRE |
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