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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
Functionalizing Janus-structured Ti2B2 unveils exceptional capacity and performance in lithium-ion battery anodes.
Zhiqiang Lu,Yuchong Kang,Yingjie Du,Xiaoyun Ma,Wei Ma,Jin Zhang +5 more
TL;DR: Functionalizing Janus-structured Ti2B2 with nitrogen and oxygen enhances lithium-ion battery anode performance, achieving a 2.4-fold increase in theoretical capacity to 1091.17 mAh·g-1 with improved Li diffusion and safety within a 0-1 V voltage range.
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Magnetic proximity controlled Rashba and valley splittings in monolayer Janus ZrNX/VTe2 (X = Br, I) heterostructure
TL;DR: In this article , the authors predicted the Zeeman-type spin splitting and Rashba splitting of monolayer Janus ZrNX (X = Br, I), which can be greatly tuned by the magnetic proximity effect.
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Defect stability and intriguing magnetic properties in Janus chromium trihalides monolayer
TL;DR: In this article, the intrinsic defects and their induced magnetic properties in Janus structures were investigated, and it was shown that the surface defects not only enhance the intrinsic ferromagnetism of the Janus structure, but also increase the Curie temperatures effectively.
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•Journal Article
Quasi-Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis and Application
Zahra Hemmat,John Cavin,Alireza Ahmadiparidari,Alexander Ruckel,Sung Cho,Robert F. Klie,Rohan Mishra,Amin Salehi-Khojin +7 more
TL;DR: In this paper, a theory-guided synthesis approach is reported to achieve unexplored quasi-binary transition metal dichalcogenide (TMDC) alloys through computationally predicted stability maps.
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Activating basal plane of Janus VSSe for efficient hydrogen evolution reaction by non-noble metal element doping: A first-principal study
TL;DR: In this article , the authors theoretically studied the HER activity of Janus 2H and VSSe with or without non-noble metal element doping, and they showed that doping As and Si atoms in the S or Se sites of VSSe and the C and Ge atoms in Se site of VSe greatly promoted the HER performance of the basal plane of VSE, resulting in hydrogen adsorption free energy close to zero.
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