| dc.contributor.author |
Wang, Junmei. |
| dc.contributor.author |
Zhang, Hua. |
| dc.contributor.author |
He, Huixin. |
| dc.contributor.author |
Hou, Tingjun. |
| dc.contributor.author |
Liu, Zhongfan. |
| dc.contributor.author |
Xu, Xiaojie. |
| dc.date.accessioned |
2012-07-13T03:43:10Z |
| dc.date.available |
2012-07-13T03:43:10Z |
| dc.date.copyright |
1998 |
| dc.date.issued |
2012-07-13 |
| dc.identifier.citation |
Wang, J., Zhang, H., He, H., Hou, T., Liu, Z., & Xu, X. (1998). Theoretical Studies on Force Titration of Amino-Group-Terminated Self-Assembled Monolayers. Journal of Molecular Structure: THEOCHEM, 451(3), 295-303. |
| dc.identifier.uri |
http://hdl.handle.net/10220/8322 |
| dc.description.abstract |
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. |
| dc.language.iso |
en |
| dc.relation.ispartofseries |
Journal of molecular structure: THEOCHEM |
| dc.rights |
© 1998 Elsevier Science B.V. This is the author created version of a work that has been peer reviewed and accepted for publication by Journal of Molecular Structure: THEOCHEM
, Elsevier. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1016/S0166-1280(98)00081-5]. |
| dc.subject |
DRNTU::Science::Biological sciences::Biochemistry. |
| dc.title |
Theoretical studies on force titration of amino-group-terminated self-assembled monolayers. |
| dc.type |
Journal Article |
| dc.contributor.school |
School of Materials Science and Engineering |
| dc.identifier.doi |
http://dx.doi.org/10.1016/S0166-1280(98)00081-5 |
| dc.description.version |
Accepted version |
