dc.contributor.authorWang, Junmei
dc.contributor.authorZhang, Hua
dc.contributor.authorHe, Hui-Xin
dc.contributor.authorHou, Tingjun
dc.contributor.authorLiu, Zhong-Fan
dc.contributor.authorXu, Xiaojie
dc.identifier.citationWang, 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.en_US
dc.description.abstractThe 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.en_US
dc.relation.ispartofseriesJournal of molecular structure : THEOCHEMen_US
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].en_US
dc.subjectDRNTU::Science::Biological sciences::Biochemistry
dc.titleTheoretical studies on force titration of amino-group-terminated self-assembled monolayersen_US
dc.typeJournal Article
dc.contributor.schoolSchool of Materials Science and Engineeringen_US
dc.description.versionAccepted versionen_US

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