First-principles identification of spinel CaCo2O4 as a promising cathode material for Ca-ion batteries

Structural engineering of cathodes for improved Zn-ion batteries

“…Additionally, it is noteworthy that after the initial several cycles, the Coulombic efficiency of ZnCo 2 O 4-x electrodes increases to approximately 100%, indicating excellent reversibility during charge/discharge processes. This superior capacity is based on the following Faradaic redox reaction between ZnCo 2 O 4 cathodes and Zn anodes with mild electrolyte [50][51][52][53] [51]. The diagram is composed of four electronic components, where R s is the purely ohmic resistance, the CPE stands for the constant phase element, the R ct is the charge transfer resistance, and the W 1 represents the Warburg impedance.…”

“…1. Therefore, it is found that the O v would promote charge conductivity and further enhance electrochemical kinetic and Zn storage ability [51,53,54].…”

“…Additionally, it is noteworthy that after the initial several cycles, the Coulombic efficiency of ZnCo 2 O 4-x electrodes increases to approximately 100%, indicating excellent reversibility during charge/discharge processes. This superior capacity is based on the following Faradaic redox reaction between ZnCo 2 O 4 cathodes and Zn anodes with mild electrolyte [50][51][52][53]:…”

First principles study of g-Mg3N2 as an anode material for Na-, K-, Mg-, Ca- and Al-ion storage

“… 5,6 However, the inadequate natural abundance of lithium reserves, which in turn leads to expensive commercial cost, restricts the wide application of LIBs in large-scale electrical energy storage and EVs. 7 Therefore, new metal-ion batteries utilizing other elements such as Na, 8 K, 9 Mg, 10 Ca 11 and Al 12 have been considered as potential alternatives to LIBs. These substitutes should possess low redox potentials, high specific capacities, excellent cyclic stability and most importantly, low cost.…”

Suppression of magnetism and Seebeck effect in Na0.875CoO2 induced by SbCo dopants

“…Furthermore, the value of U eff = 4 eV (U eff = U − J) is at a midpoint between the low-end values of ~ 3 eV usually proposed for Co 3+ [40] and the high-end values of ~ 5 eV proposed for Co 4+ [41]. U eff values close to 4 eV has been successfully applied to multivalent Co oxides [42,43]. Brillouin zone sampling for the supercells was carried out by choosing a 4 × 2 × 2 k-point set within the Monkhorst-Pack scheme [44].…”