Abstract
Two-dimensional material, MXene, is useful as the electrode for ion batteries because of high conductivity and predominantly active two-dimensional surface. Nevertheless, only a few studies have reported the use of magnetic MXene as electrode materials, especially MXene containing transition metal Mn. Recently, a new MXene member Mn2NO2 with superior magnetic half-metallic properties has been proposed. In this study, we use the first-principles calculations to study the performance of the single-layer Mn2NO2 as the anode of Li+, Na+, K+, Mg2+, Ca2+ and Al3+ ion batteries. The calculation results show that Mn2NO2 has low diffusion barrier, low open circuit voltage (OCV) and high ion adsorption capacity, which enable its use as anode of the ion batteries. Above all, Mn2NO2 exhibits an excellent Mg2+ adsorption capacity (1374.41 mAhg−1) with stable structure. The capacitance content is also expected to break through the currently available Mg2+ion batteries. The findings reported in this work provide a reference for the development of ion battery electrodes in the future.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
