Density functional theory calculation of Ti3C2 MXene monolayer as catalytic support for platinum towards the dehydrogenation of methylcyclohexane
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.147186
Abstract: Abstract The need for sustainable energy systems and reducing greenhouse gas emissions are key drivers in the development of liquid hydrogen organic carriers (LOHCs). Density functional theory calculations were performed on the dehydrogenation of methylocyclohexane… read more here.
Keywords: mxene monolayer; ti3c2 mxene; dehydrogenation;
Computational studies on the structural, electronic and optical properties of M2CT2 (M=Y, Sc and T=F, Cl) MXene monolayer
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.157982
Abstract: Abstract In this study, the electronic and optical properties of 2D M2CT2 (M=Y, Sc and T=F, Cl) MXene monolayer, a recent family of two dimensional materials with an extensive potential applications owing to their outstanding… read more here.
Keywords: mxene monolayer; optical properties; electronic optical; m2ct2 mxene ... See more keywords
Two-Dimensional V2N MXene Monolayer as a High-Capacity Anode Material for Lithium-Ion Batteries and Beyond: First-Principles Calculations
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DOI: 10.1021/acsomega.2c00936
Abstract: Two-dimensional metallic electrode materials with high energy density and excellent rate capability are crucial in rechargeable ion batteries. In this work, two-dimensional V2N MXene monolayer has been predicted to be an attractive candidate anode material… read more here.
Keywords: two dimensional; ion batteries; mxene monolayer; v2n mxene ... See more keywords