Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag

• Published in: AIP advances Vol. 13; no. 12; pp. 125206 - 125206-9
• Main Authors: Sato, Kosuke, Singh, Saurabh, Yamazaki, Itsuki, Hirata, Keisuke, Ang, Artoni Kevin R., Matsunami, Masaharu, Takeuchi, Tsunehiro
• Format: Journal Article
• Language: English
• Published: Melville American Institute of Physics 01-12-2023; AIP Publishing LLC
• Subjects: Coefficient of variation; Conduction bands; Density functional theory; Electronic structure; Figure of merit; Mathematical analysis; Seebeck effect; Substitutes; Thermoelectricity
• ISSN: 2158-3226; 2158-3226
• DOI: 10.1063/5.0171888

The effects of the partial V-substitution for Ag on the thermoelectric (TE) properties are investigated for a flexible semiconducting compound Ag2S0.55Se0.45. Density functional theory calculations predict that such a partial V-substitution constructively modifies the electronic structure near the bottom of the conduction band to improve the TE performance. The synthesized Ag1.97V0.03S0.55Se0.45 is found to possess a TE dimensionless figure-of-merit (ZT) of 0.71 at 350 K with maintaining its flexible nature. This ZT value is relatively high in comparison with those reported for flexible TE materials below 360 K. The increase in the ZT value is caused by the enhanced absolute value of the Seebeck coefficient with less significant variation in electrical resistivity. The high ZT value with the flexible nature naturally allows us to employ the Ag1.97V0.03S0.55Se0.45 as a component of flexible TE generators.