Green’s function method for calculation of adsorption of organic molecules on noble metal nanoparticles

Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces

CONSPECTUS: The understanding of adsorption and reactions of (large) organic molecules at metal surfaces plays an increasingly important role in modern surface science and technology. Such hybrid inorganic/organic systems (HIOS) are relevant for many applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. Obviously, the pre...

Noble Metal Nanoparticles for Biosensing Applications

In the last decade the use of nanomaterials has been having a great impact in biosensing. In particular, the unique properties of noble metal nanoparticles have allowed for the development of new biosensing platforms with enhanced capabilities in the specific detection of bioanalytes. Noble metal nanoparticles show unique physicochemical properties (such as ease of functionalization via simple ...

Organic Molecules on Noble Metal Surfaces: The Role of the Interface

A family of metal-organic frameworks exhibiting size-selective catalysis with encapsulated noble-metal nanoparticles.

The encapsulation of noble-metal nanoparticles (NPs) in metal-organic frameworks (MOFs) with carboxylic acid ligands, the most extensive branch of the MOF family, gives NP/MOF composites that exhibit excellent shape-selective catalytic performance in olefin hydrogenation, aqueous reaction in the reduction of 4-nitrophenol, and faster molecular diffusion in CO oxidation. The strategy of using fu...

Finite-Size Effects and Surface-Enhanced Raman Scattering from Molecules Adsorbed on Noble-Metal Nanoparticles

We study the role of a strong electron confinement on the surface-enhanced Raman scattering from molecules adsorbed on small noble-metal nanoparticles. We describe a novel enhancement mechanism which originates from the different effect that confining potential has on s-band and d-band electrons. We demonstrate that the interplay between finite-size and screening efects in the nanoparticle surf...