Browsing by Author "Mondragón, Fanor"
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Florez, Elizabeth; Fuentealba Rosas, Patricio; Mondragón, Fanor (ELSEVIER, 2008-06)Density functional theory was used to investigate the chemical reactivity of oxygen vacancies on the MgO surface towards CO2, NO2 and metal atoms. The oxygen vacancies induce changes in the electronic structure of the MgO ...