Stability of Ge12C48 and Ge20C40 heterofullerenes: A first principles molecular dynamics study

► First determination ever of the stability at T = 0 K of multiple doped Ge heterofullerenes. ► Analysis of bonding properties for C-Ge bonds in terms of localized orbitals. ► Thermal stability of Ge20C40 and comparative analysis with the case of Si-doped heterofullerenes.