Properties of Alkali Metal Atoms Deposited on a MgO Surface: A Systematic Experimental and Theoretical Study
| العنوان: | Properties of Alkali Metal Atoms Deposited on a MgO Surface: A Systematic Experimental and Theoretical Study |
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| المؤلفون: | Gianfranco Pacchioni, Elio Giamello, Emanuele Finazzi, Hong-Jun Gao, Mario Chiesa, Ji-Chun Lian, Thomas Risse, Hans-Joachim Freund, Cristiana Di Valentin |
| المساهمون: | Finazzi, E, DI VALENTIN, C, Pacchioni, G, Chiesa, M, Giamello, E, Gao, H, Lian, J, Risse, T, Freund, H |
| المصدر: | Chemistry - A European Journal. 14:4404-4414 |
| بيانات النشر: | Wiley, 2008. |
| سنة النشر: | 2008 |
| مصطلحات موضوعية: | Hydrogen, OXIDE SURFACES, Inorganic chemistry, chemistry.chemical_element, MGO(001) SURFACE, Catalysis, Rubidium, law.invention, DENSITY-FUNCTIONAL THEORY, Adsorption, EARTH OXIDES, law, ELECTRON TRAPS, Electron paramagnetic resonance, POLYCRYSTALLINE MGO, IONIC OXIDE, CENTERS, BASICITY, CLUSTER, Organic Chemistry, General Chemistry, electronic structure, oxides, Alkali metal, chemistry, Caesium, Physical chemistry, Lithium, Density functional theory |
| الوصف: | The adsorption of small amounts of alkali metal atoms (Li, Na, K, Rb, and Cs) on the surface of MgO powders and thin films has been studied by means of EPR spectroscopy and DFT calculations. From a comparison of the measured and computed g values and hyperfine coupling constants (hfccs), a tentative assignment of the preferred adsorption sites is proposed. All atoms bind preferentially to surface oxide anions, but the location of these anions differs as a function of the deposition temperature and alkali metal. Lithium forms relatively strong bonds with MgO and can be stabilized at low temperatures on terrace sites. Potassium interacts very weakly with MgO and is stabilized only at specific sites, such as at reverse corners where it can interact simultaneously with three surface oxygen atoms (rubidium and cesium presumably behave in the same way). Sodium forms bonds of intermediate strength and could, in principle, populate more than a single site when deposited at room temperature. In all cases, large deviations of the hfccs from the gas-phase values are observed. These reductions in the hfccs are due to polarization effects and are not connected to ionization of the alkali metal, which would lead to the formation of an adsorbed cation and a trapped electron. In this respect, hydrogen atoms behave completely differently. Under similar conditions, they form (H(+))(e(-)) pairs. The reasons for this different behavior are discussed. |
| تدمد: | 1521-3765 0947-6539 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e387c330ec3f002ea17f50b7402a5a05 https://doi.org/10.1002/chem.200702012 |
| حقوق: | CLOSED |
| رقم الأكسشن: | edsair.doi.dedup.....e387c330ec3f002ea17f50b7402a5a05 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 15213765 09476539 |
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