Browsing OU - Dissertations by Subject "density functional theory"
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New structural insights of alkanethiol self-assembled monolayers on the Au(111): a molecular dynamics and density functional theory study
(2021-12)Self-assembled monolayers (SAMs) of alkanethiol molecules have been widely studied over the last three decades because of their diverse applications in the biomedical, nanotechnology, surface science, and electronics. It ...