Dominika Baster

Electronic origin of the step-like character of the discharge curve for NaxCoO2-y cathode

This paper shows electronic approach to an explanation of the step-like character of the discharge/charge curve of Na/Na+/NaxCoO2-y battery. On a basis of comprehensive experimental studies of physicochemical properties of NaxCoO2-y cathode material (XRD, electrical conductivity, thermoelectric power, electronic specific heat) supported by calculations performed using the Korringa–Kohn–Rostoker method with the coherent potential approximation to account for chemical disorder, it has been shown that the observed step-like character of the discharge curve reflects the variation of the chemical potential of electrons (Fermi level) in the density of states of NaxCoO2-y, which is anomalously perturbed by a presence of the oxygen vacancy defects and sodium ordering.