Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite
The adsorption of small molecules containing two different organic functional groups at terrace and step sites on the {101¯ 4} surface of calcite at the interface with aqueous solution was studied using free energy methods. For comparison, the adsorption free energies of the component ions of calciu...
| Main Authors: | Aufort, Julie, Schuitemaker, Alicia, Green, R., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian |
|---|---|
| Format: | Journal Article |
| Language: | English |
| Published: |
AMER CHEMICAL SOC
2022
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| Subjects: | |
| Online Access: | http://purl.org/au-research/grants/arc/DP16100677 http://hdl.handle.net/20.500.11937/91503 |
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