Theoretical investigation of a tetrazine based covalent organic framework as a promising anode material for sodium/calcium ion batteries
Priya Das, Biswajit Ball, Pranab Sarkar
Abstract
, respectively. Furthermore, the average voltage of the bilayer TZACOF as the electrode material for SIBs and CIBs is found to be 0.96 and 1.13 V, respectively. Based on the results of rich electronic properties, low diffusion barriers, high storage capacity, and low average voltage, we can reach at the conclusion that the bilayer TZACOF may be a suitable candidate for use as an anode material for sodium and calcium ion batteries (SIBs and CIBs).
Topics & Concepts
BilayerAnodeBand gapIonLithium (medication)Density functional theoryMaterials scienceChemical physicsChemistryElectrodeDiffusionOptoelectronicsPhysical chemistryMembraneComputational chemistryThermodynamicsOrganic chemistryEndocrinologyMedicinePhysicsBiochemistryCovalent Organic Framework ApplicationsAdvancements in Battery MaterialsAdvanced Battery Materials and Technologies