Chemisorption and 1s binding energies in oxygen atom and negative ion

Abstract

The use of accurate experimental 1s binding energies (B.E.) of an atom in its “free” and “adatom” states is proposed as a means of studying chemisorption forces. In the case of the oxygen atom, which is important for adsorption studies, there are no experimental results on the 1s binding energy of the free atom or negative ion. In this paper we report accurate, theoretical 1s B.E.'s for O 3P and O − 2P 0 obtained using Sinanog̈lu's non-closed shell many-electron theory (NCMET). We find: B.E. (O 3P) = 544.5 eV and B.E. (O −2P) = 528.6 eV. Hopefully these values will be useful for adsorption studies in the context of the approach outlined below.