Theoretical studies on force titration of amino-group-terminated self-assembled monolayers
The structures of (3-aminopropyl)triethoxysilane (APTES), 4-aminothiophenol (4-ATP) and 4-mercaptopyridine (4-MP) self-assembled monolayers (SAMs) are studied by quantum mechanics in order to explain the force titration curves of these amino-group-terminated SAMs. The surface charges a...
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| Main Authors: | , , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2012
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/95785 http://hdl.handle.net/10220/8322 |
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| Institution: | Nanyang Technological University |
| Language: | English |
| Summary: | The structures of (3-aminopropyl)triethoxysilane (APTES), 4-aminothiophenol (4-ATP) and 4-mercaptopyridine (4-MP)
self-assembled monolayers (SAMs) are studied by quantum mechanics in order to explain the force titration curves of these
amino-group-terminated SAMs. The surface charges and electrostatic surface potentials derived from the ab initio calculations can give satisfactory explanations for the experimental results. We also propose a simple model to simulate the force titration process. The force between the tip and sample can be estimated according to the slope coef®cient of the curve of energy versus distance. This curve can lead to a better understanding of the force titration curves of amino-group-terminated SAMs. |
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