مشخصات پژوهش

In this study, theoretical capacity and cell voltage of carbon nanocage (C80), silicon nanocage (Si80), and germanium nanocage (Ge80) are examined as anodes of batteries through theoretical methods. The band gap energy (EGap), theoretical capacity (CTheory), cell voltage (Vcell) and open-circuit voltage (VOC) of C80, Si80, and Ge80 as anodes in Na-IB and K-IB are calculated. Here, the calculated parameters of C80, Si80, and Ge80 as anodes in Na-IB and K-IB are compared with graphite derivatives. Results show that the CTheory and Vcell of C80, Si80, and Ge80 are higher than graphite derivatives. It can be concluded the Ge80 is acceptable anodes in batteries with higher CTheory and Vcell than graphite derivatives.