Heteroatom Driven Design Strategy of Zr3C2O2 MXenes for Alkali-Ion Batteries: Identifying Optimal Doping Regimes via Density Functional Theory Studies
Zr3C2O2 MXene has garnered extensive interest as an anode material for alkali-ion batteries. Nevertheless, its inferior electrochemical performance compared to the well-established Ti- and V-based MXenes calls for targeted strategies to unlock its full potential. Heteroatom doping with nonmetals offers an effective w...