Examination of Potential of Fe-Si₇₈, Fe-C₇₈, Fe-B₃₉P₃₉, Fe-SiNT (9, 0), Fe-CNT (9, 0) and Fe-BPNT (9, 0) to Deliver the Chloroquine as Drug of Coronavirus Disease

This work wants to examine the potential of Fe-Si₇₈, Fe-C₇₈, Fe-B₃₉P₃₉, Fe-doped NT (9, 0) for delivering the Chloroquine as COVID-19 drug by theoretical models. The ΔE_adsorption, ΔH_adsorption and ΔG_adsorption values for adsorption of Chloroquine on surfaces of Fe-Si₇₈, Fe-C₇₈, Fe-B₃₉P₃₉, Fe-doped NT (9, 0) are calculated. The Fe adoption of structures can improve the thermodynamic stability of Si₇₈, C₇₈, B₃₉P₃₉, SiNT (9, 0), CNT (9, 0) and BPNT (9, 0). The ΔG_adsorption of adsorption of Chloroquine on surfaces of Fe-Si₇₈, Fe-C₇₈, Fe-B₃₉P₃₉, Fe-doped NT (9, 0) are -2.94, -3.05, -3.19, -3.65, -3.78 and -3.87 eV, respectively. The Fe-BPNT (9, 0) and Fe-B₃₉P₃₉ have higher τ and q than Fe-Si₇₈, Fe-C₇₈, Fe-doped NT (9, 0). Finally, the Fe-BPNT (9, 0) and Fe-CNT (9, 0) have acceptable potential for delivering the Chloroquine as anti-Coronavirus drug and Fe-BPNT (9, 0) and Fe-CNT (9, 0) can propose as suitable materials for drug delivery.