Cited 0 time in webofscience Cited 0 time in scopus

Phase Engineering of Transition Metal Dichalcogenides via a Thermodynamically Designed Gas-Solid Reaction

Title
Phase Engineering of Transition Metal Dichalcogenides via a Thermodynamically Designed Gas-Solid Reaction
Authors
Kang, GeosanHong, DeokgiKim, Ji-YongLee, Gun-DoLee, SungwooNam, Dae-HyunJoo, Young-Chang
DGIST Authors
Kang, Geosan; Hong, Deokgi; Kim, Ji-Yong; Lee, Gun-Do; Lee, Sungwoo; Nam, Dae-Hyun; Joo, Young-Chang
Issue Date
2021-08
Citation
Journal of Physical Chemistry Letters, 12(34), 8430-8439
Type
Article
Keywords
MOS2 NANOSHEETSWS2HETEROSTRUCTURESSTABILIZATION
ISSN
1948-7185
Abstract
Polymorph conversion of transition metal dichalcogenides (TMDs) offers intriguing material phenomena that can be applied for tuning the intrinsic properties of 2D materials. In general, group VIB TMDs can have thermodynamically stable 2H phases and metastable 1T/T' phases. Herein, we report key principles to apply carbon monoxide (CO)-based gas-solid reactions for a universal polymorph conversion of group VIB TMDs without forming undesirable compounds. We found that the process conditions are strongly dependent on the reaction chemical potential of cations in the TMDs, which can be predicted by thermodynamic calculations, and that polymorphic conversion is triggered by S vacancy (V-S) formation. Furthermore, we conducted DFT calculations for the reaction barriers of V-S formation and S diffusion to reveal the polymorph conversion mechanism of WS2 and compared it with that of MoS2. We believe that phase engineering 2D materials via thermodynamically designed gas-solid reactions could be functionally used to achieve defect-related nanomaterials.
URI
http://hdl.handle.net/20.500.11750/15375
DOI
10.1021/acs.jpclett.1c02476
Publisher
American Chemical Society
Related Researcher
  • Author Nam, Dae-Hyun Renewable Energy Conversion Materials Laboratory
  • Research Interests Carbon dioxide reduction; Water splitting; Energy conversion; Electrochemistry; Materials Science
Files:
There are no files associated with this item.
Collection:
Department of Energy Science and EngineeringRenewable Energy Conversion Materials Laboratory1. Journal Articles


qrcode mendeley

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE