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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
Ab-initio insights into electronic structures, optical and photocatalytic properties of Janus WXY (X/Y = O, S, Se and Te)
TL;DR: In this article, the authors theoretically investigate the electronic structures, optical and photocatalytic properties of Janus WXY (X/Y is O, S, Se and Te) through first-principles calculations.
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Sensing the polar molecules MH3 (M = N, P, or As) with a Janus NbTeSe monolayer
TL;DR: In this paper, the performance of a Janus NbTeSe monolayer as a gas sensor is systematically investigated towards (N, P, and As)H3 molecules combining first-principles calculations and non-equilibrium Green's function formalism.
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Modulating superexchange strength to achieve robust ferromagnetic couplings in two-dimensional semiconductors
TL;DR: In this paper, a ligand modulation strategy was proposed to enhance the Curie temperature of low-dimensional ferromagnets by substituting ligands with lower electronegativity.
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Transition-Metal Substitution-Induced Lattice Strain and Electrical Polarity Reversal in Monolayer WS2.
Peng Zhang,Ningyan Cheng,Mengjiao Li,Bin Zhou,Ce Bian,Yi Wei,Xingguo Wang,Huaning Jiang,Lihong Bao,Yen-Fu Lin,Zhigao Hu,Yi Du,Yi Du,Yongji Gong +13 more
TL;DR: It is demonstrated that an abnormal change of optical behavior and continuous electrical polarity reversal in WS2 can be induced by Nb substitution, where the totally softened Raman phonon vibration, rapidly quenched photoluminescence and the severe electron scattering can be attributed to not only the doping effect but also the lattice strain or distortion caused by atomic Nb doping.
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Efficient charge separation and visible-light response of two-dimensional Janus group-III monochalcogenide multilayers
TL;DR: In this article, the potential feasibility of 2D Janus group-III monochalcogenide multilayers for use in photocatalytic water splitting was analyzed.
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