Biophysics and Beyond

Lithium-ion batteries (LIBs), as well as the development of alternative energy storage systems based on abundant resources such as sodium-ion batteries (SIBs) or potassium-ion batteries (KIBs). Silicon carbide (SiC), germanium carbide (GeC) or Tin carbide (SnC) high theoretical capacity renders it as a promising anode material with for lithium (Li), sodium (Na) or potassium (K)-ion batteries due to forming [Si(Li)C], [Ge(Li)C], [Sn(Li)C], [Si(Na)C], [Ge(Na)C], [Sn(Na)C], [Si(K)C], [Ge(K)C] and [Sn(K)C] nanoclusters with the abbreviation of [XYC] (X= Si, Ge or Sn and Y=Li, Na or K) nanoclusters. A vast study on energy-saving by [XYC] complexes was probed using computational approaches due to density state analysis of charge density differences (CDD), total density of states (TDOS), electron localization function (ELF) for hybrid clusters of [XYC]. A small portion of Li, Na or K entered the Si-C, Ge-C or Sn-C layer to replace the alkali metals sites could improve the structural stability of the electrode material. Higher Si,Ge,Sn/C content can increase battery capacity through [XYC] nanoclusters for energy storage process and improve the rate performances by enhancing electrical conductivity. Besides, SiC, GeC or SnC anode material may advance cycling consistency by excluding electrode decline and augments the capacity owing to higher surface capacitive impacts. Therefore, SiC, GeC or SnC anode could be applied in multivalent-ion batteries using K⁺ as the carrier ion because its properties can compete with or surpass monovalent ions.