Au/TiO2(110) interfacial reconstruction stability from ab initio

We determine the stability and properties of interfaces of low-index Au surfaces adhered to TiO2(110), using density functional theory energy density calculations. We consider Au(100) and Au(111) epitaxies on rutile TiO2(110) surface, as observed in experiments. For each epitaxy, we consider several different interfaces: Au(111)//TiO2(110) and Au(100)//TiO2(110), with and without bridging oxygen, Au(111) on 1x2 added-row TiO2(110) reconstruction, and Au(111) on a proposed 1x2 TiO reconstruction. The density functional theory energy density method computes the energy changes on each of the atoms while forming the interface, and evaluates the work of adhesion to determine the equilibrium interfacial structure.Comment: 20 pages, 11 figure

Thickness-Dependent Morphologies of Gold on N-Layer Graphenes

We report that gold thermally deposited onto n-layer graphenes interacts differently with these substrates depending on the number layer, indicating the different surface properties of graphenes. This results in thickness-dependent morphologies of gold on n-layer graphenes, which can be used to identify and distinguish graphenes with high throughput and spatial resolution. This technique may play an important role in checking if n-layer graphenes are mixed with different layer numbers of graphene with a smaller size, which cannot be found by Raman spectra. The possible mechanisms for these observations are discussed

CO Oxidation Activity of Ag/TiO2 Catalysts Prepared via Oxalate Co-precipitation

Ag/TiO2 catalysts with different Ag loadings (2, 4, 7 and 10% (w/w)) have been prepared by means of co-precipitation of Ag- and TiO-oxalates followed by temperature programmed oxidation (TPO). The catalysts were subjected to CO oxidation in a flow reactor at atmospheric pressure and temperatures up to 573 K. Best conversion performance was obtained in a CO/O2 = 1:1 mixture over 10% Ag/TiO2 for which the temperature of 50% CO conversion was T50 = 333 K. The initial reaction rates were determined in a circulation reactor at low conversions and apparent activation energies between 13 and 25 kJ/mol were found for all catalysts. Transmission electron microscopy shows a broad range of nano-sized Ag particles on TiO2 (nearly pure anatase).info:eu-repo/semantics/publishe