Year: 2020
Type: article
Abstract: It was generally believed that weak van der Waals interactions exist between neighboring layers in the two-dimensional group-IV chalcogenides. Using PbSe as a prototypal example, we find additional strong coupling between the Pb–Pb layers, as evidenced by detailed analysis of the differential charge density plot. The coupling is covalent-like and can be fine-tuned to obviously reduce the phonon thermal conductivity but slightly change the electronic transport of PbSe layer. As a consequence, a maximum ZT value of 2.5 can be realized at 900 K for the p -type system. Our work also offers an effective and feasible design strategy to enhance the thermoelectric performance of similar layered structures.
Institution: Wuhan University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
Awards: G1334016548, 若干范德华异质结热电性能的理论和计算研究
OpenAlex ID: W3081866418