Water Adsorption on MgO Surfaces: A Vibrational Analysis
Using DFT calculations, we have considered different adsorption configurations of water molecules on MgO surfaces. In some cases, we have observed a chemical reaction between water and the surface, with the formation of hydroxyl groups. We have systematically compared the calculated Raman spectra of...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-07-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/13/8/1153 |