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First-principles study of H adsorption on graphene/SiC(0001)

Publications associées (46)

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The role of disorder in the electronic and transport properties of monolayer and bilayer graphene

Fernando Gargiulo

This thesis is devoted to the computational study of the electronic and transport properties of monolayer and bilayer graphene in the presence of disorder arising from both topological and point defects. Among the former, we study grain boundaries in monol ...

EPFL2015

The ability to control the charge-potential landscape at solid-liquid interfaces is pivotal to engineer novel devices for applications in sensing, catalysis and energy conversion. The isoelectric point (pI)/point of zero charge (pzc) of graphene plays a ke ...

Nature Publishing Group2015

We investigate the intercalation of hydrogen at the graphene/SiC(0001) interface through atomistic models characterized by very low strains both in the epitaxial graphene and in the SiC substrate. Adsorption of H at the interface is always stable but shows ...

Elsevier2014

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We report on a highly efficient growth of graphene using dehydrogenation of acetylene by an oxidative reaction with carbon dioxide. In few seconds, large-area of copper foil used as catalyst of the reaction is fully covered with graphene. The yield of the ...

Pergamon-Elsevier Science Ltd2014

A set of low-strain commensurate interface structures for epitaxial graphene on SiC(0001) are obtained by combining rotated graphene supercells with m x m or m root 3 x m root 3R30 degrees SiC cells. For two among the interfaces with lowest strain, corresp ...

Elsevier2012

Nanocomposite coatings composed of two phases with atomically sharp phase boundaries, show interesting mechanical properties. These properties are often originating from their high interface to volume ratio. Composites of nanocrystalline titanium nitride ( ...

EPFL2012

The chemical and physical properties of nanoclusters largely depend on their sizes and shapes. This is partly due to finite size effects influencing the local electronic structure of the nanocluster atoms which are located on the nanofacets and on their ed ...

2012

Using density functional calculations, we address the energetics of the interface between the SiC(0001) substrate and the first covalently bonded epitaxial graphene layer. We consider a 6 root 3 x 6 root 3R30 degrees geometry showing the experimental perio ...

Elsevier2011

With transistors set to reach their smallest possible size in the next decade, the silicon chip is likely to change dramatically, or be replaced entirely. The transistor industry's path which has been largely shaped by Gordon Moore's famous prediction that ...

EPFL2011

In this thesis we study the electronic structure of different two-dimensional (2D) electron systems with angular resolved photoemission spectroscopy (ARPES). This technique is based on the photoelectric effect and directly probes the electronic structure o ...

EPFL2011