On shape dependence of the toxicity of rutile nanoparticles

Abstract

Using B3LYP method, the nearly spheric structure of [Ti7O28H26]2- , the rod-like structures of [Ti2O10H10]2- and [Ti7O30H10]2- chains and the structures of their neutral complexes with Cu2+ coordinated at various terminal or bridging oxygen sites were optimized in order to assess the toxicity of rutile nanoparticles