The reactivity of surface active carbonaceous species with CO2 and its role on hydrocarbon conversion reactions

Chemical reactivity of oxygen vacancies

Chemical reactivity of oxygen vacancies on the MgO surface: Reactions with CO2, NO2 and metals

✍ Elizabeth Florez; Patricio Fuentealba; Fanor Mondragón 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 710 KB

Density functional theory was used to investigate the chemical reactivity of oxygen vacancies on the MgO surface towards CO 2 , NO 2 and metal atoms. The oxygen vacancies induce changes in the electronic structure of the MgO compared to that of the regular surface. The most common surface defects ca