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• W2023951934 abstract "Recent experiments have demonstrated that tiny amounts of Mo impurities give rise to drastic changes in the adsorption characteristic of a wide-gap CaO(001) film. In this scanning tunneling microscopy (STM) and density functional theory paper, we elucidate the underlying mechanism by analyzing the energy levels of the Mo dopants as a function of their oxidation state and depth below the surface. We show that Mo${}^{2+}$ ions in CaO subsurface layers can be reversibly charged and discharged by inducing local band-bending effects with the STM tip. A similar charge switching is not possible for Mo species in a higher oxidation state, as their highest-occupied molecular orbitals are located well below the onset of the CaO conduction band. The easiness of charge switching in Mo${}^{2+}$ ions explains the remarkable chemical properties of doped CaO films, as it renders the material a strong electron donor to adsorbates bound to the oxide surface." @default.
• W2023951934 created "2016-06-24" @default.
• W2023951934 creator A5005257571 @default.
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• W2023951934 date "2013-11-21" @default.
• W2023951934 modified "2023-09-24" @default.
• W2023951934 title "Controlling the charge state of single Mo dopants in a CaO film" @default.
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• W2023951934 doi "https://doi.org/10.1103/physrevb.88.205421" @default.
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