Ultra-low lattice thermal conductivity and anisotropic thermoelectric transport properties in Zintl compound β-K₂Te₂

Abstract

A good thermoelectric (TE) performance is usually the result of the coexistence of an ultralow thermal conductivity and a high TE power factor in the same material. In this paper,...

The thermoelectric properties of CdBr, CdI, and Janus Cd2BrI monolayers with low lattice thermal conductivity

“…It is obvious that the p-type power factors of the CdBr, Cd 2 BrI, and CdI monolayers are greater than that of the n-type. More specifically, the calculated PF values corresponding to the optimal zT at 300 K are 12.18, 12.09, and 8.74 mW m À1 K À2 for the p-type monolayers, respectively, which are higher than those of other typical 2D materials, such as Bi 2 TeSe 2 (4.00 mW m À1 K À2 ), 61 and p-type b-K 2 Te 2 (4.00 mW m À1 K À2 ) at 650 K. 66 As the temperature increases, the maximum PF of the three materials decreases. At 600 K, the maximum PF values are 8.39, 5.60, and 4.26 mW m À1 K À2 for the p-type doping of the CdBr, Cd 2 BrI, and CdI monolayers, respectively, indicating that the monolayers of ptype doping are a promising thermoelectric material.…”

Strong anharmonicity and high thermoelectric performance of cubic thallium-based fluoride perovskites TlXF3 (X = Hg, Sn, Pb)

“…The Seebeck coefficient S falls and the electrical conductivity s rises, which is in line with most thermoelectric materials. 58,59 Furthermore, S becomes larger with increasing temperature, while this trend is reversed for s. The former is because the larger temperature difference leads to a more intense diffusion movement of carriers from the hot end to the cold end. The latter is caused by stronger electron-phonon scattering at high temperatures, as shown in Fig.…”

High thermoelectric performance in XAgSe2 (X = Sc, Y) from strong quartic anharmonicity and multi-valley band structure

“…This approach has been reported to be in good agreement with experimental measurements and calculations of electronphonon coupling using Wannier functions. 32 Detailed calculations are presented in the ESI. ‡…”