4.8 Article

Stacking Polymorphism in PtSe2 Drastically Affects Its Electromechanical Properties

期刊

ADVANCED SCIENCE
卷 9, 期 22, 页码 -

出版社

WILEY
DOI: 10.1002/advs.202201272

关键词

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

资金

  1. German Ministry of Education and Research (BMBF) under the project ForMikro-NobleNEMS [16ES1121]
  2. Gauss Centre for Supercomputing e.V.
  3. [CRC 1415]

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The study focuses on PtSe2 and reveals the existence of stacking phases other than the 1T phase at elevated temperatures. These phases significantly affect the synthesis and performance of polycrystalline thin films.
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.

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