TY - JOUR
T1 - An Insight into the Phase Transformation of WS2 upon Fluorination
AU - Radhakrishnan, Sruthi
AU - Das, Deya
AU - Deng, Liangzi
AU - Sudeep, Parambath M.
AU - Colas, Guillaume
AU - de los Reyes, Carlos A.
AU - Yazdi, Sadegh
AU - Chu, Ching Wu
AU - Martí, Angel A.
AU - Tiwary, Chandra Sekhar
AU - Filleter, Tobin
AU - Singh, Abhishek K.
AU - Ajayan, Pulickel M.
N1 - Funding Information:
D.D. and A.K.S. thank Dr. A. Samanta for useful discussions. CST acknowledges funding support from Ramanujan fellowship. S.R., C.S.T., and P.M.A. acknowledge support from the Air Force Office of Scientific Research (AFOSR) Grant No. BAA-AFOSR-2013-0001. A.A.M. acknowledges the National Science Foundation (grant CHE 1610175) for financial support. L.Z.D. and C.W.C. thank the US Air Force Office of Scientific Research Grant FA9550-15-1-0236, the T. L. L. Temple Foundation, the John J. and Rebecca Moores Endowment, and the State of Texas through the Texas Center for Superconductivity at the University of Houston for financial support. D.D. and A.K.S. acknowledge Department of Science and Technology Nano Mission for financial support and thank “SahasraT,” Cray XC40 Cluster of Supercomputer Education and Research Center and Materials Research Center, Indian Institute of Science, Bangalore for providing the required computational facilities. T.F. acknowledges support from the Natural Sciences and Engineering Research Council (NSERC) of Canada, the Canada Foundation for Innovation, and the Erwin Edward Hart Professorship.
Publisher Copyright:
© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2018/11/2
Y1 - 2018/11/2
N2 - 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 WS2 (FWS2) into the 1T phase is described. The energy difference between the two phases debugs this transition, as fluorination enhances the stability of 1T FWS2 and makes it energetically favorable at higher F concentration. Investigation of the electronic and optical nature of FWS2 is supplemented by possible band structures and bandgap calculations. Magnetic centers in the 1T phase appear in FWS2 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.
AB - 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 WS2 (FWS2) into the 1T phase is described. The energy difference between the two phases debugs this transition, as fluorination enhances the stability of 1T FWS2 and makes it energetically favorable at higher F concentration. Investigation of the electronic and optical nature of FWS2 is supplemented by possible band structures and bandgap calculations. Magnetic centers in the 1T phase appear in FWS2 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.
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U2 - 10.1002/adma.201803366
DO - 10.1002/adma.201803366
M3 - Article
C2 - 30239044
AN - SCOPUS:85053685388
VL - 30
JO - Advanced Materials
JF - Advanced Materials
SN - 0935-9648
IS - 44
M1 - 1803366
ER -