Surface nanopatterning through styrene adsorption on Si(100)

Abstract

We present an ab initio study of the structural and electronic properties of styrene molecules adsorbed on the dimerized Si(100) surface at different coverages, ranging from the single-molecule to the full monolayer. The adsorption mechanism primarily involves the vinyl group via a [2+2] cycloaddition 1

Chemical manipulation of multifunctional hydrocarbons on silicon surfaces

“…It has been shown that styrene (Ph-CH=CH 2 ) and phenylacetylene (Ph-C≡CH) react with the Si(100)-2×1 surface by [2 + 2] cycloaddition. Despite the fact that there is a potential for the interaction of the vinyl group of styrene with the phenyl ring to form an alternative conjugated diene system to enable it to participate in a [4 + 2] process, styrene reacts predominantly by a [2 + 2] reaction between its vinyl group and the silicon dimer of the Si(100)-2×1 surface [216,220,221,223]. The STM studies presented in Fig.…”

Toward accurate reaction energetics for molecular line growth at surface: Quantum Monte Carlo and density functional theory calculations

“…The organic functionalization of semiconductor surfaces is a promising route for the development of molecular nanostructures and organic-inorganic devices [1][2][3][4][5][6]. In particular, over the past several years, much attention has been focused on the formation of covalently attached nanostructures on silicon, starting from hydrogen-terminated Si (H-Si) surfaces.…”

Palladium-Catalyzed Coupling Reactions for the Functionalization of Si Surfaces: Superior Stability of Alkenyl Monolayers

“…[37][38][39] The ability to tune the structural properties of such monolayers through chemical modification is therefore highly advantageous. Suzuki-Miyaura coupling involves reaction of an aryl boronic acid and aryl halide catalyzed by a Pd(0) species.…”