Sulphur-decorated TiC MXene structures as high-capacity electrode for Zn-ion batteries: a DFT study.

MXene-based structures have gained tremendous attention in energy storage applications, especially in ion batteries due to their promising electrical conductivity and high energy storage properties. Herein, we studied sulphur-decorated TiC MXene structures for Zn-ion batteries with augmented storage capacity (462.5 mAh g).

A VCMXene/graphene heterostructure as a sustainable electrode material for metal ion batteries.

Individually, MXene and graphene based frameworks have been recognized as promising 2D electrode materials for metal ion batteries. Herein, we have engineered a heterostructure of VCMXene and graphene using computational design. A comprehensive investigation of designed heterostructure has been reported in this work.

Enhancing TMR and spin-filtration by using out-of-plane graphene insulating barrier in MTJs.

First principles investigations are performed to understand the spin-polarized transport in Magnetic Tunnel Junctions (MTJs) consisting of an out-of-plane graphene sheet as a barrier in between two CrO Half-Metallic-Ferromagnetic (HMF) electrodes. Upon comparison of the results with the results of in-plane graphene based MTJs reported in the past, it is observed that out-of-plane structures offer a high TMR of ∼100% and the transport phenomenon is tunneling since there are no transmission states near the Fermi level. However, in in-plane structures, the transport phenomenon cannot be tunneling since there are a significant number of transmission states near the Fermi level, although a high Magneto Resistance (MR) of ∼90% is observed.