Abstract
This paper discusses the process of determining the energy density and electronic properties of sodium-ion batteries with nickel doping and the manganese–oxygen combination (Na2Mn3–zNizO7) using the density-functional theory calculation in Quantum Espresso software. These materials were chosen due to their abundance in nature as an alternative to overcome the limitations of lithium materials. Moreover, Na2Mn3–zNizO7 has a similar structure to lithium-based batteries that have been widely used. The Na transfer process and activation energy were simulated, and the voltage and the electronic properties of the material were analyzed using first-principles calculation. This research shows that the material (Na2Mn3–zNizO7) has the potential to be implemented as a cathode material in secondary batteries.
Sign-in/Register to access full text options 
Free) 
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 call
