@article{db03425cb8164232acc634c168803891,
title = "Transition Metal Layer Substitution in Mo2CS2 MXene for Improving Li Ion Surface Kinetics",
abstract = "We study the adsorption and mobility of a Li ion on the surface of the Mo2CS2 MXene by means of Density Functional Theory. We find that by substituting the Mo atoms of the upper MXene layer with V the mobility of the Li ion can be improved up to 95% while the material retains its metallic character. This fact indicates that MoVCS2 is a promising candidate for anode electrode in Li-ion batteries, where the materials need to be conductive and the Li ion needs to have a small migration barrier.",
keywords = "Batteries, Chemical structure, Electrodes, Ions, Two dimensional materials",
author = "Papadopoulou, {Konstantina A.} and Stavros Christopoulos",
note = "Funding Information: The authors acknowledge support from the International Consortium of Nanotechnologies (ICON) funded by Lloyd{\textquoteright}s Register Foundation, a charitable foundation which helps to protect life and property by supporting engineering-related education, public engagement and the application of research. Publisher Copyright: {\textcopyright} 2023 The Authors. Published by American Chemical Society",
year = "2023",
month = jun,
day = "27",
doi = "10.1021/acsomega.3c02080",
language = "English",
volume = "8",
pages = "22992--22997",
journal = "ACS Omega",
issn = "2470-1343",
publisher = "American Chemical Society",
number = "25",
}
