Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh.

Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh

Adsorption of small gold clusters on the h-BN/Rh(111) nanomesh

The adsorption of small Aun (n = 2–4) clusters on the h-BN/Rh(111) nanomesh is studied by means of density functional theory calculations. We demonstrate that for these small gold clusters a linear geometry is most stable, where all Au atoms bind to underlying B atoms in the pores of the 13×12 h-BN/Rh(111) nanomesh. However, other geometries have similar adsorption energies of more than 2 eV/at...

Adsorption of gold atoms on the h-BN/Rh(111) nanomesh

We present density functional calculations of the adsorption of a single Au atom on the h-BN/Rh(111) nanomesh and compare it to Au adsorption on a pure h-BN surface. While Au binds only weakly to pure h-BN (similar to graphene) or to BN at the “wires” of the nanomesh, the subsurface Rh atoms in the “pores” of the nanomesh modify the electronic structure of h-BN considerably and Au adsorbs stron...

Ab initio study of h-BN nanomeshes on Ru(001), Rh(111), and Pt(111)

The atomic and electronic structure of h-BN deposited on Ru 001 , Rh 111 , and Pt 111 is discussed in terms of ab initio density functional theory. Our calculations indicate that the interaction between h-BN and the metal substrate is relatively weak for the h-BN/Pt 111 interface but rather strong for the Ru 001 and Rh 111 surfaces. The corrugations of the h-BN layer calculated for h-BN/Rh 111 ...

Probing the selectivity of a nanostructured surface by xenon adsorption.

Surface-supported molecular self-assembly with the goal to produce highly ordered, functional supramolecular nanostructures are often realized using nanopatterned surfaces, which exhibit long range - ideally periodic - modulations of the molecule adsorption properties. To elucidate the physical origins of the site-specific adsorption properties of such a nanopatterned substrate, we investigated...