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
✦ LIBER ✦
Theoretical characterization of charge-transfer reactions between N2 and O2 molecules and paramagnetic oxygen vacancies on the MgO surface
✍ Scribed by Anna Maria Ferrari; Raffaella Soave; Annalisa D’Ercole; Cesare Pisani; Elio Giamello; Gianfranco Pacchioni
- Book ID
- 117215716
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 631 KB
- Volume
- 479
- Category
- Article
- ISSN
- 0039-6028
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