Properties of incorganic clusters in oxygen-rich astrophysical environments

A. B. C. Patzer, Ch. Chang, M. John, D. Sülzle, E. Sedlmayr

AG Tagung München 2001

Abstract:

The nature and physical properties of inorganic clusters possibly involved in the dust condensation processes from the gas phase in oxygen-rich astrophysical environments have been studied theoretically employing computational electronic structure techniques. First candidates to play an important role in such processes are inorganic materials such as the oxides of those metals showing sufficient abundances and a bulk phase of which is usually characterized by elevated melting points and hence high energetic stability.

In this context small metal oxide clusters were treated within density functional and force field approaches. All systems investigated disclose a rich structural diversity of energetically low-lying, highly stable isomers. Based on the specific properties, thus obtained, consequences regarding the formation of dust particles are discussed.