Adsorption of azide-functionalized thiol linkers on zinc oxide surfaces.

ABSTRACT: A comprehensive understanding of the interactions between organic molecules and a metal oxide surface is essential for an efficient surface modification and the formation of organic-inorganic hybrids with technological applications ranging from heterogeneous catalysis and biomedical templates up to functional nanoporous matrices. In this work, first-principles calculations supported by experiments are used to provide the microstructural characteristics of (101̄0) surfaces of zinc oxide single crystals modified by azide terminated hydrocarbons, which graft on the oxide through a thiol group. On the computational side, we evaluate the specific interactions between the surface and the molecules with the chemical formula N₃(CH₂) _n SH, with n = 1,

SUBMITTER: Atanasova P 

PROVIDER: S-EPMC8694732 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature