Intrinsic defect formation and effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

Day: Friday, June 11, 2021

Time: 13:00

Venue: Online Map

Hội thảo

Abstract: Over the past decades, thermoelectric devices have always attracted attention as a green solution capable of converting waste heat into electrical energy. As a promising candidate of solid-liquid phonon crystal paradigm for thermoelectric applications, the electronic structure and transport properties of a ductile thermoelectric material a-Ag2S are examined using first-principles calculations combined with the Boltzmann transport theory. Large Seebeck coefficients at room temperature are also realized which is in good consistent with experimental data before. It is also suggested that the doping of fully filled d-block elements such as Cu and Au not only maintained the Seebeck coefficients at high values but also improved electrical conductivity by more than 1.4 times, leading to the improvement of the power factor by up to 40% compared to the non-doped sample at low carrier concentration.

Speaker:  Ho Ngoc Nam - 2nd intake student of MNT program

Topic: Nanotech Seminar #13-14
Time: Jun 11, 2021 01:00 PM Hanoi,
Join us at:
https://zoom.us/j/92556644127?pwd=MC9JSkd2d0ZncmhmMzFtbHF0T0RRUT09
Meeting ID: 925 5664 4127
Passcode: 2U6dmP

 
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