An Insight into the Phase Transformation of WS 2 upon Fluorination

The transformation from semiconducting to metallic phase, accompanied by a structural transition in 2D transition metal dichalcogenides has attracted the attention of the researchers worldwide. The unconventional structural transformation of fluorinated WS (FWS ) into the 1T phase is described. The...

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Published inAdvanced materials (Weinheim) Vol. 30; no. 44; p. e1803366
Main Authors Radhakrishnan, Sruthi, Das, Deya, Deng, Liangzi, Sudeep, Parambath M, Colas, Guillaume, de Los Reyes, Carlos A, Yazdi, Sadegh, Chu, Ching Wu, Martí, Angel A, Tiwary, Chandra Sekhar, Filleter, Tobin, Singh, Abhishek K, Ajayan, Pulickel M
Format Journal Article
LanguageEnglish
Published Germany 01.11.2018
Subjects
fluorination
2D magnetism
DFT calculations
phase transformation
TMDs
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Summary:The transformation from semiconducting to metallic phase, accompanied by a structural transition in 2D transition metal dichalcogenides has attracted the attention of the researchers worldwide. The unconventional structural transformation of fluorinated WS (FWS ) into the 1T phase is described. The energy difference between the two phases debugs this transition, as fluorination enhances the stability of 1T FWS and makes it energetically favorable at higher F concentration. Investigation of the electronic and optical nature of FWS is supplemented by possible band structures and bandgap calculations. Magnetic centers in the 1T phase appear in FWS possibly due to the introduction of defect sites. A direct consequence of the phase transition and associated increase in interlayer spacing is a change in friction behavior. Friction force microscopy is used to determine this effect of functionalization accompanied phase transformation.
ISSN:0935-9648
1521-4095
DOI:10.1002/adma.201803366