Mobile metal adatoms on single layer, bilayer and trilayer graphene: an ab initio study correlated with experimental electron microscopy data

The plane-wave density functional theory code CASTEP was used with the Tkatchenko-Scheffler van der Waals correction scheme and the generalized gradient approximation of Perdew, Burke, and Ernzerhof (GGA PBE) to calculate the binding energy of Au, Cr, and Al atoms on the armchair and zigzag edge binding sites of monolayer graphene, and at the high-symmetry adsorption sites of single layer, bilayer, and trilayer graphene. All edge site binding energies were found to be substantially higher than the adsorption energies for all metals. The adatom migration activation barriers for the lowest energy migration paths on pristine monolayer, bilayer, and trilayer graphene were then calculated and found to be smaller than or within an order of magnitude of kBT at room temperature, implying very high mobility for all adatoms studied. This suggests that metal atoms evaporated onto graphene samples quickly migrate across the lattice and bind to the energetically favorable edge sites before being characterized in the microscope. We then prove this notion for Al and Au on graphene with scanning transmission electron microscopy (STEM) images showing that these atoms are observed exclusively at edge sites, and also hydrocarbon-contaminated regions, where the pristine regions of the lattice are completely devoid of adatoms. Additionally, we review the issue of fixing selected atomic positions during geometry optimization calculations for graphene/adatom systems and suggest a guiding principle for future studies

Small-Angle X-ray and neutron scattering from diamond single crystals

Results of Small-Angle Scattering study of diamonds with various types of point and extended defects and different degrees of annealing are presented. It is shown that thermal annealing and/or mechanical deformation cause formation of nanosized planar and threedimensional defects giving rise to Small-Angle Scattering. The defects are often facetted by crystallographic planes 111, 100, 110, 311, 211 common for diamond. The scattering defects likely consist of clusters of intrinsic and impurity-related defects; boundaries of mechanical twins also contribute to the SAS signal. There is no clear correlation between concentration of nitrogen impurity and intensity of the scattering.Comment: 6 pages, 5 figures; presented at SANS-YuMO User Meeting 2011, Dubna, Russi

Saharan Dust Event Impacts on Cloud Formation and Radiation over Western Europe

We investigated the impact of mineral dust particles on clouds, radiation and atmospheric state during a strong Saharan dust event over Europe in May 2008, applying a comprehensive online-coupled regional model framework that explicitly treats particle-microphysics and chemical composition. Sophisticated parameterizations for aerosol activation and ice nucleation, together with two-moment cloud microphysics are used to calculate the interaction of the different particles with clouds depending on their physical and chemical properties. The impact of dust on cloud droplet number concentration was found to be low, with just a slight increase in cloud droplet number concentration for both uncoated and coated dust. For temperatures lower than the level of homogeneous freezing, no significant impact of dust on the number and mass concentration of ice crystals was found, though the concentration of frozen dust particles reached up to 100 l-1 during the ice nucleation events. Mineral dust particles were found to have the largest impact on clouds in a temperature range between freezing level and the level of homogeneous freezing, where they determined the number concentration of ice crystals due to efficient heterogeneous freezing of the dust particles and modified the glaciation of mixed phase clouds. Our simulations show that during the dust events, ice crystals concentrations were increased twofold in this temperature range (compared to if dust interactions are neglected). This had a significant impact on the cloud optical properties, causing a reduction in the incoming short-wave radiation at the surface up to -75Wm-2. Including the direct interaction of dust with radiation caused an additional reduction in the incoming short-wave radiation by 40 to 80Wm-2, and the incoming long-wave radiation at the surface was increased significantly in the order of +10Wm-2. The strong radiative forcings associated with dust caused a reduction in surface temperature in the order of -0.2 to -0.5K for most parts of France, Germany, and Italy during the dust event. The maximum difference in surface temperature was found in the East of France, the Benelux, and Western Germany with up to -1 K. This magnitude of temperature change was sufficient to explain a systematic bias in numerical weather forecasts during the period of the dust event

Atomic Configuration of Nitrogen Doped Single-Walled Carbon Nanotubes

Having access to the chemical environment at the atomic level of a dopant in a nanostructure is crucial for the understanding of its properties. We have performed atomically-resolved electron energy-loss spectroscopy to detect individual nitrogen dopants in single-walled carbon nanotubes and compared with first principles calculations. We demonstrate that nitrogen doping occurs as single atoms in different bonding configurations: graphitic-like and pyrrolic-like substitutional nitrogen neighbouring local lattice distortion such as Stone-Thrower-Wales defects. The stability under the electron beam of these nanotubes has been studied in two extreme cases of nitrogen incorporation content and configuration. These findings provide key information for the applications of these nanostructures.Comment: 25 pages, 13 figure

The first year of the ST Operation Committee: is there a future ?

The main objective of the ST Operation Committee (STOC) was to develop a proactive and homogeneous service of operation that satisfies the needs of the service users. Furthermore, the role of the Technical Control Room (TCR) should have been developed to a unique and competent entry point for ST operation by bringing the operation teams closer together on a daily basis. Have these objectives been achieved and to what extend? Is there a future for this committee and what could it look like? What are the implications of the first year of work on ST operation as a whole? This paper answers these questions and gives recommendations how to make best use of the STOC for the ST partners and ST, respectively

Magnetoplasmon excitations in an array of periodically modulated quantum wires

Motivated by the recent experiment of Hochgraefe et al., we have investigated the magnetoplasmon excitations in a periodic array of quantum wires with a periodic modulation along the wire direction. The equilibrium and dynamic properties of the system are treated self-consistently within the Thomas-Fermi-Dirac-von Weizsaecker approximation. A calculation of the dynamical response of the system to a far-infrared radiation field reveals a resonant anticrossing between the Kohn mode and a finite-wavevector longitudinal excitation which is induced by the density modulation along the wires. Our theoretical calculations are found to be in excellent agreement with experiment.Comment: 9 pages, 8 figure