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INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH (IISER) PUNE
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An Autonomous Institution, Ministry of Human Resource Development, Govt. of India
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Seminars and Colloquia

Physics

Ab-initio Calculations of the Thermoelectric Properties of MXenes 
 
Mon, Feb 11, 2019,   12:00 PM to 12:30 PM at Seminar Hall 31, 2nd Floor, Main Building

Prof. Udo Schwingenschlogl
King Abdullah University of Science and Technology (KAUST)

Abstract:

First-principles calculations are employed to predict the thermoelectric properties of the 2D materials Ti2CO2, Zr2CO2, and Hf2CO2 in order to evaluate the role of the metal atom. Flat conduction bands are found to promote the thermopower in the case of n-doping. The lattice thermal conductivity is demonstrated to grow along the series Ti-Zr-Hf in the temperature range 300-700 K, resulting in the highest figure of merit in the case of Ti2CO2.

Biography
Dr. Schwingenschlögl is a Professor of Materials Science & Engineering at King Abdullah University of Science and Technology (KAUST). His research interests in condensed matter physics and first-principles materials modeling focus on two-dimensional materials, interface and defect physics, correlated materials, thermoelectric materials, metal-ion batteries, nanoparticles, and quantum transport. Dr. Schwingenschlögl joined KAUST as founding faculty member in 2008, having previously worked at the International Center of Condensed Matter Physics in Brasilia, Brazil, and the Universität Augsburg in Germany.

 

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