Stacking Polymorphism in PtSe2 Drastically Affects Its Electromechanical Properties

Adv Sci (Weinh). 2022 Aug;9(22):e2201272. doi: 10.1002/advs.202201272. Epub 2022 Jun 2.

Abstract

PtSe2 is one of the most promising materials for the next generation of piezoresistive sensors. However, the large-scale synthesis of homogeneous thin films with reproducible electromechanical properties is challenging due to polycrystallinity. It is shown that stacking phases other than the 1T phase become thermodynamically available at elevated temperatures that are common during synthesis. It is shown that these phases can make up a significant fraction in a polycrystalline thin film and discuss methods to characterize them, including their Seebeck coefficients. Lastly, their gauge factors, which vary strongly and heavily impact the performance of a nanoelectromechanical device are estimated.

Keywords: PtSe2; Raman characterization; density-functional theory; piezoresistive sensors; stacking disorder; two-dimensional materials.