Titanium oxide fullerenes: electronic structure and basic trends in their stability.
Stability as a function of size and electronic structure of titania fullerenes, as an example of inorganic fullerenes with octahedral coordination of metal atoms, is studied with the quantum-mechanical DFTB method.
Enyashin
Andrey N
AN
Physikalische Chemie, Technische Universität Dresden, D-01062 Dresden, Germany. Enyashin@ihim.uram.ru
Seifert
Gotthard
G