| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | The Journal of Physical Chemistry | ||
| Dergi ISSN | 0022-3654 | ||
| Makale Dili | – | Basım Tarihi | 01-1994 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-10-1994 |
| Cilt / Sayı / Sayfa | 98 / 40 / 10229–10236 | DOI | 10.1021/j100091a044 |
| Makale Linki | https://pubs.acs.org/doi/pdf/10.1021/j100091a044 | ||
| UAK Araştırma Alanları |
Dedektör Teknolojisi
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| Özet |
| Quantum chemical calculations of oxygen adsorption on potassium are presented. The surface was modeled by clusters of six atomsand the electronic structure evaluated in the Hartree—Fock and Hartree—Fock—Slater schemes. Adsorbed intermediates were identified bycomparisons between calculated data and spectroscopic information, mainly from photoemission and vibrational spectroscopies. Low doses of oxygen at cryogenic temperatures lead to the formation of surface O-and higher doses to subsurface 02~. The C> 2~ species dissociate to bulk O-upon gentle annealing. Further annealing initiates the formation of a three-dimensional oxide. Lattice relaxation is critical to the understanding of atomic adsorption as well as molecular orientation. |
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