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Title: Theoretical studies on force titration of amino-group-terminated self-assembled monolayers
Authors: Wang, Junmei
Zhang, Hua
He, Hui-Xin
Hou, Tingjun
Liu, Zhong-Fan
Xu, Xiaojie
Keywords: DRNTU::Science::Biological sciences::Biochemistry
Issue Date: 1998
Source: Wang, J., Zhang, H., He, H.-X., Hou, T., Liu, Z.-F., & Xu, X. (1998). Theoretical studies on force titration of amino-group-terminated self-assembled monolayers. Journal of molecular structure : THEOCHEM, 451(3), 295-303.
Series/Report no.: Journal of molecular structure : THEOCHEM
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.
DOI: 10.1016/S0166-1280(98)00081-5
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: [].
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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