Effects of Nickel/Manganese Variation on Na2Mn3- zNizO7for Sodium-Ion Battery Cathodes

Alvius Tinambunan, Faozan Ahmad*, Aditya Wibawa Sakti, Permono Adi Putro, Syafri, Husin Alatas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


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-zNizO7has 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.

Original languageEnglish
Pages (from-to)20754-20761
Number of pages8
JournalJournal of Physical Chemistry C
Issue number49
Publication statusPublished - 2022 Dec 15

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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