Recent advances in Zr and Hf-based MXenes and their hetero-structure as novel anode materials for Ca-ion batteries: theoretical insights from DFT approach
Tanvir Ahmed, Afiya Akter Piya, Siraj Ud Daula Shamim
Abstract
N nanosheet shows superior anodic properties for Ca-ion batteries, which is also confirmed by specific capacity, diffusion barrier and open circuit voltage calculations.
Topics & Concepts
MXenesAnodeBattery (electricity)Materials scienceIonProcess (computing)NanotechnologyComputer scienceChemistryPhysicsPhysical chemistryThermodynamicsElectrodeOrganic chemistryPower (physics)Operating systemMXene and MAX Phase Materials2D Materials and ApplicationsAdvancements in Battery Materials