مشخصات پژوهش

The nanostructures have high potential as anodes in metal-ion batteries and they have high physical stability and efficient mechanical possessions. In this study, potential of Si76, C32, B16N16 and Al38P38 as anodes in batteries are examined. The EGap, Ead, Vcell and CTheory for Si76, C32, B16N16 and Al38P38 as electrodes in batteries are calculated and compared with graphite compounds in previous works. Results show that the Al38P38 and B16N16 as anodes in batteries have higher performance than Si76 and C32, remarkably. Finally, Al38P38 and B16N16 are proposed as effective anode materials in batteries with higher CTheory and Vcell values than graphite derivatives