Publications by authors named "P Schlexer"

A new two-dimensional (2D) germanium dioxide film has been prepared. The film consists of interconnected germania tetrahedral units forming a bilayer structure, weakly coupled to the supporting Pt(111) metal-substrate. Density functional theory calculations predict a stable structure of 558-membered rings for germania films, while for silica films 6-membered rings are preferred.

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We present a microkinetic model for CO reduction (COR) on Cu(211) towards C products, based on energetics estimated from an explicit solvent model. We show that the differences in both Tafel slopes and pH dependence for C vs C activity arise from differences in their multi-step mechanisms. We find the depletion in C products observed at high overpotential and high pH to arise from the 2 order dependence of C-C coupling on CO coverage, which decreases due to competition from the C pathway.

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Silver (Ag) clusters confined in matrices possess remarkable luminescence properties, but little is known about their structural and electronic properties. We characterized the bright green luminescence of Ag clusters confined in partially exchanged Ag-Linde Type A (LTA) zeolites by means of a combination of x-ray excited optical luminescence-extended x-ray absorption fine structure, time-dependent-density functional theory calculations, and time-resolved spectroscopy. A mixture of tetrahedral Ag(HO) ( = 2 and = 4) clusters occupies the center of a fraction of the sodalite cages.

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A chemically stable bilayers of SiO_{2} (2D silica) is a new, wide band gap 2D material. Up till now graphene has been the only 2D material where the bending rigidity has been measured. Here we present inelastic helium atom scattering data from 2D silica on Ru(0001) and extract the first bending rigidity, κ, measurements for a nonmonoatomic 2D material of definable thickness.

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