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Janus Monolayer Transition Metal Dichalcogenides
Jing Zhang,Shuai Jia,Kholmanov Iskandar,Liang Dong,Dequan Er,Weibing Chen,Hua Guo,Zehua Jin,Vivek B. Shenoy,Li Shi,Jun Lou +10 more
TL;DR: In this article, a novel crystal configuration of sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized.
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Abstract: A novel crystal configuration of sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized in this work. By controlled sulfurization of monolayer MoSe2 the top layer of selenium atoms are substituted by sulfur atoms while the bottom selenium layer remains intact. The peculiar structure of this new material is systematically investigated by Raman, photoluminescence and X-ray photoelectron spectroscopy and confirmed by transmission-electron microscopy and time-of-flight secondary ion mass spectrometry. Density-functional theory calculations are performed to better understand the Raman vibration modes and electronic structures of the Janus SMoSe monolayer, which are found to correlate well with corresponding experimental results. Finally, high basal plane hydrogen evolution reaction (HER) activity is discovered for the Janus monolayer and DFT calculation implies that the activity originates from the synergistic effect of the intrinsic defects and structural strain inherent in the Janus structure.
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Citations
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S. Özcan,Blanca Biel +1 more
TL;DR: In this article , the authors explore the suitability of Sc[Formula: see text]CX (X=N[formula, see text], ON, O[formulas see text]) MXenes to act as active anode materials in Na-ion based batteries (NIBs) by means of ab initio simulations.
Intrinsic Nonlinear Planar Hall Effect.
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Stacking-order-dependent interlayer coupling in Janus WSSe/WS2 heterostructures
TL;DR: In this paper , the authors show the control of the interlayer coupling in transition metal dichalcogenide (TMDC) heterostructures by changing the stacking order.
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Structural, electronic, magnetic, and optical properties of new TiXY (X = F and Cl; Y = S, Se and Te) Janus monolayers: A first-principles study
TL;DR: In this article, the authors investigated novel Janus monolayers using first-principles calculations, which may be created by halogenation of the titanium dichalcogenide (TiCh2) single layers.
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Surface asymmetry induced turn-overed lifetime of acoustic phonons in monolayer MoSSe
TL;DR: In this paper , anharmonic phonon properties of monolayer Janus MoSSe sheet are explored within the framework of density functional perturbation theory, by considering three-phonons scattering, out-of-plane flexural acoustic (ZA) mode tends to undergo a stronger phonon scattering than transverse acoustic (TA) mode and the longitudinal acoustic (LA) mode with phonon lifetime of ZA (1.0 ps) < LA (23.8 ps)
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