The mechanism of caesium intercalation of graphene

Properties of many layered materials, including copper- and iron-based superconductors, topological insulators, graphite and epitaxial graphene can be manipulated by inclusion of different atomic and molecular species between the layers via a process known as intercalation. For example, intercalation in graphite can lead to superconductivity and is crucial in the working cycle of modern batteries and supercapacitors. Intercalation involves complex diffusion processes along and across the layers, but the microscopic mechanisms and dynamics of these processes are not well understood. Here we report on a novel mechanism for intercalation and entrapment of alkali-atoms under epitaxial graphene. We find that the intercalation is adjusted by the van der Waals interaction, with the dynamics governed by defects anchored to graphene wrinkles. Our findings are relevant for the future design and application of graphene-based nano-structures. Similar mechanisms can also play a role for intercalation of layered materials.Comment: 8 pages, 7 figures in published form, supplementary information availabl

Relaxation and reconstruction on (111) surfaces of Au, Pt, and Cu

We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface stress, interatomic force constants, and other relevant quantities by ab initio electronic structure calculations using the density functional theory (DFT), in a slab geometry with periodic boundary conditions. We have estimated the stability towards a quasi-one-dimensional reconstruction by using the calculated quantities as parameters in a one-dimensional Frenkel-Kontorova model. On all surfaces we have found an intrinsic tensile stress. This stress is large enough on Au and Pt surfaces to lead to a reconstruction in which a denser surface layer is formed, in agreement with experiment. The experimentally observed differences between the dense reconstruction pattern on Au(111) and a sparse structure of stripes on Pt(111) are attributed to the details of the interaction potential between the first layer of atoms and the substrate.Comment: 8 pages, 3 figures, submitted to Physical Review

Dynamical 1/N approach to time-dependent currents through quantum dots

A systematic truncation of the many-body Hilbert space is implemented to study how electrons in a quantum dot attached to conducting leads respond to time-dependent biases. The method, which we call the dynamical 1/N approach, is first tested in the most unfavorable case, the case of spinless fermions (N=1). We recover the expected behavior, including transient ringing of the current in response to an abrupt change of bias. We then apply the approach to the physical case of spinning electrons, N=2, in the Kondo regime for the case of infinite intradot Coulomb repulsion. In agreement with previous calculations based on the non-crossing approximation (NCA), we find current oscillations associated with transitions between Kondo resonances situated at the Fermi levels of each lead. We show that this behavior persists for a more realistic model of semiconducting quantum dots in which the Coulomb repulsion is finite.Comment: 18 pages, 7 eps figures, discussion extended for spinless electrons and typo

Enhancing surface production of negative ions using nitrogen doped diamond in a deuterium plasma

The production of negative ions is of significant interest for applications including mass spectrometry, particle acceleration, material surface processing, and neutral beam injection for magnetic confinement fusion. Methods to improve the efficiency of the surface production of negative ions, without the use of low work function metals, are of interest for mitigating the complex engineering challenges these materials introduce. In this study we investigate the production of negative ions by doping diamond with nitrogen. Negatively biased ($-20$ V or $-130$ V), nitrogen doped micro-crystalline diamond films are introduced to a low pressure deuterium plasma (helicon source operated in capacitive mode, 2 Pa, 26 W) and negative ion energy distribution functions (NIEDFs) are measured via mass spectrometry with respect to the surface temperature (30$^{\circ}$C to 750$^{\circ}$C) and dopant concentration. The results suggest that nitrogen doping has little influence on the yield when the sample is biased at $-130$ V, but when a relatively small bias voltage of $-20$ V is applied the yield is increased by a factor of 2 above that of un-doped diamond when its temperature reaches 550$^{\circ}$C. The doping of diamond with nitrogen is a new method for controlling the surface production of negative ions, which continues to be of significant interest for a wide variety of practical applications

Ethyl cellulose, cellulose acetate and carboxymethyl cellulose microstructures prepared using electrohydrodynamics and green solvents

Cellulose derivatives are an attractive sustainable material used frequently in biomaterials, however their solubility in safe, green solvents is not widely exploited. In this work three cellulose derivatives; ethyl cellulose, cellulose acetate and carboxymethyl cellulose were subjected to electrohydrodynamic processing. All were processed with safe, environmentally friendly solvents; ethanol, acetone and water. Ethyl cellulose was electrospun and an interesting transitional region was identified. The morphological changes from particles with tails to thick fibres were charted from 17 to 25 wt% solutions. The concentration and solvent composition of cellulose acetate (CA) solutions were then changed; increasing the concentration also increased fibre size. At 10 wt% CA, with acetone only, fibres with heavy beading were produced. In an attempt to incorporate water in the binary solvent system to reduce the acetone content, 80:20 acetone/water solvent system was used. It was noted that for the same concentration of CA (10 wt%), the beading was reduced. Finally, carboxymethyl cellulose was electrospun with poly(ethylene oxide), with the molecular weight and polymer compositions changed and the morphology observed

Influence of band width on the scattered ion yield spectra of a He + Ion by resonant or quasi-resonant charge exchange neutralization

The influence of the band structure, especially the bandwidth, on the scattered ion yield spectra of a He+ ion by the resonant or quasi-resonant neutralization was theoretically examined using quantum rate equations. When calculating the scattered ion yield spectra of He+ to simulate the experimental data, we observed that the band structure, especially the bandwidth, had a strong influence on the spectra at relatively low incident He+ ion energies of less than several hundred eV. Through many simulations, it was determined that theoretical calculations that include bandwidth calculation can simulate or reproduce the experimentally observed spectra of He+-In, He+-Ga, and He+-Sn systems. In contrast, simulations not including bandwidth simulation could neither reproduce nor account for such spectra. Furthermore, the calculated ion survival probability (ISP) at low incident ion energies tended to decrease with increasing bandwidth. This decrease in ISP probably corresponds to the relatively small scattered ion yield usually observed at low incident ion energies. Theoretically, such a decrease indicates that a He+ ion with a low incident energy can be easily neutralized on the surface when the bandwidth is large

Preliminary notes on the macrolichens of Serra do Cachimbo, northcentral Brazil

This paper reports on the April-May 1983 Projeto Flora expedition to Serra do cachimbo in northcentral Brazil, a phytogeographically poorly known area near the transition between the Amazon forest and the central Brazilian planalto. The objective of this expedition was to collect botanical specimens with special emphasis on lichens. Rock outcrops are common in this area and several soil types combined with varied topography give rise to a diversity of vegetation types including Amazon caatinga, campo rupestre, gallery forest and Amazon forest. A preliminary checklist of 91 macrolichens is provided with a discussion of ecological distribution of lichens in each habitat