In this work we present a theoretical investigation of hydrogenated Si(1 1 1) surface functionalization by means of propyl-urea molecules. The molecules are found to attach at the silicon surface following an exothermic reaction when the coverage is half of a monolayer. Among the possible SAM configuration, we have found that the most favorable is the one maximizing H-bond interaction between the organic monomers.
|Titolo:||Si(1 1 1) surface functionalized with H-bonded SAM: A theoretical study|
|Data di pubblicazione:||2012|
|Digital Object Identifier (DOI):||10.1016/j.apsusc.2012.04.143|
|Appare nelle tipologie:||1.1 Articolo in rivista|
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