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Electronic structure calculations of twisted multi-layer graphene superlattices
Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and... -
Design rules for interconnects based on graphene nanoribbon junctions
Graphene nanoribbons (GNRs) produced by means of bottom-up chemical self-assembly are considered promising candidates for the next-generation nanoelectronic devices. We address... -
Thermomechanical properties of honeycomb lattices from internal-coordinates p...
Lattice dynamics in low-dimensional materials and, in particular, the quadratic behaviour of the flexural acoustic modes play a fundamental role in their thermomechanical... -
Thermomechanical properties of honeycomb lattices from internal-coordinates p...
Lattice dynamics in low-dimensional materials and, in particular, the quadratic behaviour of the flexural acoustic modes play a fundamental role in their thermomechanical and... -
Tight-Binding Electronic Transport Application (TBETA) for graphene nanoribbo...
TBETA provides a simple graphical interface for building structures of two-terminal junctions of graphene nanoribbons (GNRs) at angles 60°, 120° and 180°. The electronic... -
Comparative study of defects in graphene flake grown on amorphous and crystal...
We performed a computational study using Density Functional Theory calculations on a copper-graphene system. A global minima search was performed using the Minima Hopping... -
Electronic transport across quantum dots in graphene nanoribbons: Toward buil...
The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we... -
Mid-infrared radiative emission from bright hot plasmons in graphene
The decay dynamics of excited carriers in graphene have attracted wide scientific attention, as the gapless Dirac electronic band structure opens up relaxation channels that are... -
Even–odd conductance effect in graphene nanoribbons induced by edge functiona...
We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized with p-polyphenyl and polyacene groups of... -
Data associated with the paper "Electrostatic modulation of excitonic fluid i...
Data associated with the paper "Electrostatic modulation of excitonic fluid in GaN/AlGaN quantum wells by deposition of few-layer graphene and nickel/gold films". The data are... -
Graphene Surface Functionalisation Effect on Hydrogen Spillover
Hydrogen spillover involves dissociation of molecular hydrogen at the surface of metals, particularly transition metals, followed by migration of the hydrogen atoms across the... -
Magnetic properties of graphene
Magnetic properties of graphitic compounds are of current interest for both theoretical and experimental research in the fields of condensed matter physics and magnetism. In the... -
Magnetic properties of Graphene
This year Nobel Prize award to the discovery of graphene has evidenced the relevance of this material, which has outstanding physical properties and promising technological... -
Neutron powder diffraction on graphene and metal-decorated graphene
Graphene is a very promising material and appears particularly suitable in order to develop efficient hydrogen storage systems, especially if it is ¿decorated¿ with proper metal... -
Caesium sorption in Cu2[Fe(CN)6], a potential nuclear waste cleanup material
Caesium-137 is among the most important hazards associated with low-level nuclear waste. Among the most promising materials for scavenging Cs+ ions from waste solutions are the... -
mSR study of charge carrier motion in thermally reduced graphene oxide
This dataset has no description
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Simultaneous INS and Raman spectra of centropolyindanes.
The family of centropolyindanes are created by edge-wise fusing of the cyclopentane ring of several indane units (D. Kuck, Chemical Reviews 2006, 106, 4885-4925).... -
Quantification of Brønsted acid site densities in zeolites: an INS investigation
As part of an on-going industrial/academic collaboration in to the application of neutron spectroscopy to probe commercially relevant zeolites, this proposal seeks to use the... -
Proton dynamics of graphenes of different hydrogen content
Graphene is defined as a: single layer of carbon atoms with each atom bound to three neighbours in a honeycomb structure. This suggests that in a macroscopic, manageable... -
Metal decorated graphene for Hydrogen Storage
Previous uSR measurements on chemically produced graphene showed that, apart from a slowly relaxing graphite-like fraction, approximately 40% of the implanted muons are trapped...
