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...
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Main Authors: | , , |
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Format: | Article PeerReviewed |
Language: | English |
Published: |
American Chemical Society
2022
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Subjects: | |
Online Access: | https://repository.ugm.ac.id/280295/1/Prasetyo_MIPA.pdf https://repository.ugm.ac.id/280295/ https://pubs.acs.org/doi/10.1021/acs.jpcc.2c01415 https://doi.org/10.1021/acs.jpcc.2c01415 |
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Institution: | Universitas Gadjah Mada |
Language: | English |
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