arXiv Open Access 2012

Anion-radical oxygen centers in small (AgO)n clusters: density functional theory predictions

Egor V. Trushin Igor L. Zilberberg

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Abstrak

Anion-radical form of the oxygen centers O(-) is predicted at the DFT level for small silver oxide particles having the AgO stoichiometry. Model clusters (AgO)n appear to be ferromagnetic with appreciable spin density at the oxygen centers. In contrast to these clusters, the Ag2O model cluster have no unpaired electrons in the ground state. The increased O/Ag ratio in the oxide particles is proved to be responsible for the spin density at oxygen centers.

Topik & Kata Kunci

physics.atm-clus physics.chem-ph

Penulis (2)

Egor V. Trushin

Igor L. Zilberberg

Format Sitasi

APA MLA BibTeX

Trushin, E.V., Zilberberg, I.L. (2012). Anion-radical oxygen centers in small (AgO)n clusters: density functional theory predictions. https://arxiv.org/abs/1212.0712

Akses Cepat

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Informasi Jurnal

Tahun Terbit: 2012
Bahasa: en
Sumber Database: arXiv
Akses: Open Access ✓