Design of an aluminium ion battery with a graphyne host: lowest volume expansion, high stability and low diffusion barriers
Abhijitha V. G, Shashi B. Mishra, Sundara Ramaprabhu, B. R. K. Nanda
Abstract
) ensures the reversibility and hence cyclic durability of α-GY. Although the γ-GY shows a volume expansion of 249%, it is still promising. The NEB based diffusion study on monolayer and bilayer GY estimates the activation barriers to be (0.26, 0.06 eV) and (0.42, 0.16 eV) for α and γ phases, respectively. These values are either comparable to or lower than those of earlier reported cathode hosts.
Topics & Concepts
CathodeMaterials scienceBattery (electricity)Volume expansionElectronegativityIntercalation (chemistry)Chemical physicsChemistryThermodynamicsPhysical chemistryInorganic chemistryOrganic chemistryMedicinePhysicsPower (physics)Internal medicineAdvancements in Battery MaterialsGraphene research and applicationsAdvanced Battery Materials and Technologies