Fate of Water Molecules on (11-20) and (1-102) α-Alumina Surfaces: 2D Periodic Self-Consistent Charge-Density Functional Tight-Binding/Molecular Mechanics Molecular Dynamics Study
Numerous studies on the adsorption and dissociation of water molecules on α-alumina surfaces, both experimentally and theoretically, have been presented within decades. However, the dynamical properties of water at the solid-liquid interface are still a challenging problem. To explain the dynamics o...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2022
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| Subjects: | |
| Online Access: | https://repository.ugm.ac.id/280295/1/Prasetyo_MIPA.pdf |