High n-type and p-type thermoelectric performance of two-dimensional SiTe at high temperature. Issue 38 (11th June 2018)

• Record Type: Journal Article
• Authors: Wang, Qian; Quhe, Ruge; Guan, Zixuan; Wu, Liyuan; Bi, Jingyun; Guan, Pengfei; Lei, Ming; Lu, Pengfei
• Is Part Of: RSC advances. Volume 8:Issue 38(2018)
• Page Start: 21280
• Page End: 21287
• Publication Date: 2018-06-11
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c8ra02270d
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : 2D β-SiTe is predicted to be a promising high-temperature thermoelectric material with a balanced n- and p-type performance. Abstract : From a device perspective, achieving great merits for both n- and p-type thermoelectric systems is particularly desirable. By first-principles calculations, electronic, phonon, and thermoelectric transport properties of 2D SiTe with three different structural phases are investigated, which are quadruple layer (QL), black-phosphorene-like (α-SiTe) and blue-phosphorene-like (β-SiTe), respectively. Of these three structure phases, β-SiTe possesses the best thermoelectric properties. This is because the DOS peak near the valence band results in a high Seebeck coefficient, further leading to a high power factor. We also demonstrate that strong phonon scattering heavily influences the lattice thermal conductivity K l of β-SiTe. With the combination of high power factor and low K l, the ZT max value of β-SiTe reaches 0.95 at T = 1300 K for both n- and p-type doped systems. Therefore, 2D β-SiTe is a promising candidate for future high-temperature solid-state thermoelectric generators with a balanced performance of the n- and p-legs.