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.
Si(1 1 1) surface functionalized with H-bonded SAM: A theoretical study / Risplendi F.; Cicero G.. - In: APPLIED SURFACE SCIENCE. - ISSN 0169-4332. - ELETTRONICO. - 267(2012), pp. 17-20. [10.1016/j.apsusc.2012.04.143]
Titolo: | Si(1 1 1) surface functionalized with H-bonded SAM: A theoretical study | |
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Data di pubblicazione: | 2012 | |
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Digital Object Identifier (DOI): | http://dx.doi.org/10.1016/j.apsusc.2012.04.143 | |
Appare nelle tipologie: | 1.1 Articolo in rivista |
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http://hdl.handle.net/11583/2498026