Adsorbed Iron oxide (FeO), Lead oxide (PbO), Tellurium dioxide (TeO2) and Niobium dioxide (NbO2) to silicon nanotube (9, 0) as anode electrodes in Li- and Na-ion batteries

Abstract

The adsorption of Iron oxide (FeO), Lead oxide (PbO), Niobium dioxide (NbO2) and Tellurium (TeO2) on possible sites of silicon nanotube (SiNT (9, 0)) surface are examined. Results indicated that studied metal-oxides and metal-dioxides are adsorbed on top atom positions of SiNT (9, 0). The Gibbs free energy (Gad) values of metal-dioxides on SiNT (9, 0) are higher than metal-oxides. The capabilities of SiNT (9, 0), FeO-SiNT (9, 0), PbO-SiNT (9, 0), NbO2-SiNT (9, 0) and TeO2-SiNT (9, 0) as anode electrodes in lithium-ion and sodium-ion batteries are investigated. The Gibbs free energy (Gad), cell voltage (Vcell) and theoretical capacity (QT) values of SiNT (9, 0), FeO-SiNT (9, 0), PbO-SiNT (9, 0), NbO2-SiNT (9, 0) and TeO2-SiNT (9, 0) as anode electrodes in Li-ion and Na-ion batteries are calculated. Results showed that NbO2 and TeO2 as anode electrodes in Li-ion and Na-ion batteries have higher Vcell values than FeO and PbO. The TeO2-SiNT (9, 0) as anode electrodes in Li-ion and Na-ion batteries have the highest QT and Vcell values. Finally, the TeO2-SiNT (9, 0) as novel anode electrodes in Li-ion batteries and Na-ion batteries are proposed with high performance.