The true corrugation of a h-BN nanomesh layer
نویسندگان
چکیده
منابع مشابه
Corrugated single layer templates for molecules: From h-BN nanomesh to graphene based quantum dot arrays
Functional nano-templates enable self-assembly of otherwise impossible arrangements of molecules. A particular class of such templates is that of sp2 hybridized single layers of hexagonal boron nitride or carbon (graphene) on metal supports. If the substrate and the single layer have a lattice mismatch, superstructures are formed. On substrates like rhodium or ruthenium these superstructures ha...
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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...
متن کاملUnraveling the structure of the h-BN/Rh(111) nanomesh with ab initio calculations.
The properties of a single layer of h-BN on top of a Rh(111) surface are discussed in terms of an ab initio generated force field approach as well as by direct ab initio density-functional theory (DFT) calculations. A single-layer model for the h-BN/Rh(111) nanomesh, in contrast to a previously considered (incomplete) double-layer model of h-BN, can explain the experimental data. The main focus...
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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...
متن کاملNano-ice models for the water aggregates observed on the h-BN/Rh(111) nanomesh.
When a large amount of water is deposited onto a bare h-BN/Rh(111) nanomesh, the formation of ordered and stable nano-ice crystals in the pores has been experimentally observed. The present work proposes different possible models for the structure of the observed clusters, based on density functional theory calculations of two-dimensional water lattices adsorbed on free-standing hexagonal BN. T...
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ژورنال
عنوان ژورنال: 2D Materials
سال: 2020
ISSN: 2053-1583
DOI: 10.1088/2053-1583/ab81ae