Ge QUANTUM DOTS (QDs) ENCAPSULATED IN FULLERENE C720

A size dependent stability of quasi-spherical Germanium Nanoparticles Ge-NPs with a diameter of sub<5nm, which is different from the cubic diamond structure of bulk crystalline Ge [1,2] have investigated by molecular dynamics simulations under continuous heating. In order to understand the quantum size effect on the thermal stability and atomic structure of nano size Ge, carbon based nanostructures such as a carbon nanocage is used. The monocrystalline Ge quantum dots (QDs) were carried out with a high fullerene C720 in MD simulations. The stability of Ge QDs @C720 core-shell structures with diameters of between 2-2.4nm are first reported. Results are compared with those obtained for free standing Ge QDs. The stability of free standing and fullerene encapsulated Ge QDs was observed to be dependent on the nanoparticle size with smaller nanoparticles exhibiting less stability. The hollow carbon C720 cage affects more amorphous phase transformation for the Ge QDs while comparing the atomic structure and cohesive energy of free and encapsulated QDs each other