Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site Stability
Ion incorporation or removal from a solid at the interface with solution is a fundamental part of crystal growth. Despite this, there have been few quantitative determinations of the thermodynamics for such processes from atomistic molecular dynamics due to the associated technical challenges. In th...
| Main Authors: | , , |
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| Format: | Journal Article |
| Language: | English |
| Published: |
AMER CHEMICAL SOC
2022
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/97832 |