MoS₂ Enhanced T-Phase Stabilization and Tunability Through Alloying
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Grossman_MoS2 enhanced.pdf
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Author(s)
Raffone, Federico
Ataca, Can
Grossman, Jeffrey C.
Cicero, Giancarlo
Date Issued
May 2016
Journal
Journal of Physical Chemistry Letters
Publisher
American Chemical Society (ACS)
Citation
Raffone, Federico, Can Ataca, Jeffrey C. Grossman, and Giancarlo Cicero. “MoS₂ Enhanced T-Phase Stabilization and Tunability Through Alloying” The Journal of Physical Chemistry Letters 7, 13 (July 2016): 2304–2309 © 2016 American Chemical Society
Version
Author's final manuscript
Abstract
Two-dimensional MoS₂ is a promising material for nanoelectronics and catalysis, but its potential is not fully exploited since proper control of its multiple phases (H, T, ZT) and electronic properties is lacking. In this theoretical study, alloying is proposed as a method to stabilize the MoS₂ T-phase. In particular, MoS₂ is alloyed with another material that is known to exist in a monolayer MX₂ T-structure, and we show that the formation energy difference among phases decreases even for low impurity concentrations in MoS₂, and a relationship between impurity concentration and alloy band gap is established. This method can be potentially applied to many two-dimensional materials to tune/enhance their electronic properties and stabilities in order to suit the desired application.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
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DOI of Published Version
https://doi.org/10.1021/ACS.JPCLETT.6B00794
