MoS₂ Enhanced T-Phase Stabilization and Tunability Through Alloying
Author(s)
Raffone, Federico; Ataca, Can; Grossman, Jeffrey C.; Cicero, Giancarlo
DownloadGrossman_MoS2 enhanced.pdf (1.755Mb)
PUBLISHER_POLICY
Publisher Policy
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
Terms of use
Metadata
Show full item recordAbstract
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.
Date issued
2016-05Department
Massachusetts Institute of Technology. Department of Materials Science and EngineeringJournal
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
ISSN
1948-7185