Two-dimensional semiconducting nanostructures based on single graphene sheets with lines of adsorbed hydrogen atoms

It is shown that lines of adsorbed hydrogen pair atoms divide the graphene sheet into strips and form hydrogen-based superlattice structures (2HG-SL). We show that the forming of 2HG-SL drastically changes the electronic properties of graphene from semimetal to semiconductor. The electronic spectra of "zigzag" (n,0) 2HG-SL is similar to that of (n,0) carbon nanotubes and have a similar oscillation of band gap with number n, but with non-zero minimal values. The composite dual-periodic (n,0)+(m,0) 2HG-SLs of "zigzag" strips are analyzed, with the conclusion that they may be treated as quasi-two-dimensional heterostructures. We also suggest an experimental way of fabricating hydrogen superlattices.Comment: 12 pages, 3 figure

The excitation spectrum of mesoscopic proximity structures

We investigate one aspect of the proximity effect, viz., the local density of states of a superconductor-normal metal sandwich. In contrast to earlier work, we allow for the presence of an arbitrary concentration of impurities in the structure. The superconductor induces a gap in the normal metal spectrum that is proportional to the inverse of the elastic mean free path l_N for rather clean systems. For a mean free path much shorter than the thickness of the normal metal, we find a gap size proportional to l_N that approaches the behavior predicted by the Usadel equation (diffusive limit). We also discuss the influence of interface and surface roughness, the consequences of a non-ideal transmittivity of the interface, and the dependence of our results on the choice of the model of impurity scattering.Comment: 7 pages, 8 figures (included), submitted to PR

The interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons

We have studied the interaction of polyaromatic hydrocarbons (PAHs) with the basal plane of graphite using thermal desorption spectroscopy. Desorption kinetics of benzene, naphthalene, coronene and ovalene at sub-monolayer coverages yield activation energies of 0.50 eV, 0.85 eV, 1.40 eV and 2.1 eV, respectively. Benzene and naphthalene follow simple first order desorption kinetics while coronene and ovalene exhibit fractional order kinetics owing to the stability of 2-D adsorbate islands up to the desorption temperature. Pre-exponential frequency factors are found to be in the range $10^{14}$-$10^{21} s^{-1}$ as obtained from both Falconer--Madix (isothermal desorption) analysis and Antoine's fit to vapour pressure data. The resulting binding energy per carbon atom of the PAH is $52\pm$5 meV and can be identified with the interlayer cohesive energy of graphite. The resulting cleavage energy of graphite is $61\pm5$~meV/atom which is considerably larger than previously reported experimental values.Comment: 8 pages, 4 figures, 2 table

Nanopercolation

We investigate through direct molecular mechanics calculations the geometrical properties of hydrocarbon mantles subjected to percolation disorder. We show that the structures of mantles generated at the critical percolation point have a fractal dimension $d_{f} \approx 2.5$. In addition, the solvent access surface $A_{s}$ and volume $V_{s}$ of these molecules follow power-law behavior, $A_{s} \sim L^{\alpha_A}$ and $V_{s} \sim L^{\alpha_V}$, where $L$ is the system size, and with both critical exponents $\alpha_A$ and $\alpha_V$ being significantly dependent on the radius of the accessing probing molecule, $r_{p}$. Our results from extensive simulations with two distinct microscopic topologies (i.e., square and honeycomb) indicate the consistency of the statistical analysis and confirm the self-similar characteristic of the percolating hydrocarbons. Due to their highly branched topology, some of the potential applications for this new class of disordered molecules include drug delivery, catalysis, and supramolecular structures.Comment: 4 pages, 5 figure

Prediction of Mechanical Properties of Polymers With Various Force Fields

The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3. The predicted values of Young s modulus and shear modulus of the polyimide are compared with experimental values. The results indicate that the mechanical properties of the polyimide predicted with the OPLS-AA force field most closely matched those from experiment. The results also indicate that while the complexity of the force field does not have a significant effect on the accuracy of predicted properties, small differences in the force constants and the functional form of individual terms in the force fields determine the accuracy of the force field in predicting the elastic properties of the polyimide

Conductance of Distorted Carbon Nanotubes

We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and leads to an increased electrical resistance. Electronic structure calculations show that these energy ranges contain localized states with significant $\sigma$-$\pi$ hybridization resulting from the increased curvature produced by bending. Our calculations of the contact resistance show that the large contact resistances observed for SWNTs are likely due to the weak coupling of the NT to the metal in side bonded NT-metal configurations.Comment: 5 pages RevTeX including 4 figures, submitted to PR

Proton acceleration by irradiation of isolated spheres with an intense laser pulse

We report on experiments irradiating isolated plastic spheres with a peak laser intensity of 2-3 x 10(20) W cm(-2). With a laser focal spot size of 10 mu m full width half maximum (FWHM) the sphere diameter was varied between 520 nm and 19.3 mu m. Maximum proton energies of similar to 25 MeV are achieved for targets matching the focal spot size of 10 mu m in diameter or being slightly smaller. For smaller spheres the kinetic energy distributions of protons become nonmonotonic, indicating a change in the accelerating mechanism from ambipolar expansion towards a regime dominated by effects caused by Coulomb repulsion of ions. The energy conversion efficiency from laser energy to proton kinetic energy is optimized when the target diameter matches the laser focal spot size with efficiencies reaching the percent level. The change of proton acceleration efficiency with target size can be attributed to the reduced cross-sectional overlap of subfocus targets with the laser. Reported experimental observations are in line with 3D3V particle in cell simulations. They make use of well-defined targets and point out pathways for future applications and experiments.DFG via the Cluster of Excellence Munich-Centre for Advanced Photonics (MAP) Transregio SFB TR18NNSA DE-NA0002008Super-MUC pr48meIvo CermakCGC Instruments in design and realization of the Paul trap systemIMPRS-APSLMUexcellent Junior Research FundDAAD|ToIFEEuropean Union's Horizon research and innovation programme 633053Physic

Diamagnetic response of cylindrical normal metal - superconductor proximity structures with low concentration of scattering centers

We have investigated the diamagnetic response of composite NS proximity wires, consisting of a clean silver or copper coating, in good electrical contact to a superconducting niobium or tantalum core. The samples show strong induced diamagnetism in the normal layer, resulting in a nearly complete Meissner screening at low temperatures. The temperature dependence of the linear diamagnetic susceptibility data is successfully described by the quasiclassical Eilenberger theory including elastic scattering characterised by a mean free path l. Using the mean free path as the only fit parameter we found values of l in the range 0.1-1 of the normal metal layer thickness d_N, which are in rough agreement with the ones obtained from residual resistivity measurements. The fits are satisfactory over the whole temperature range between 5 mK and 7 K for values of d_N varying between 1.6 my m and 30 my m. Although a finite mean free path is necessary to correctly describe the temperature dependence of the linear response diamagnetic susceptibility, the measured breakdown fields in the nonlinear regime follow the temperature and thickness dependence given by the clean limit theory. However, there is a discrepancy in the absolute values. We argue that in order to reach quantitative agreement one needs to take into account the mean free path from the fits of the linear response. [PACS numbers: 74.50.+r, 74.80.-g]Comment: 10 pages, 9 figure

Surface Enhanced Second Harmonic Generation from Macrocycle, Catenane, and Rotaxane Thin Films: Experiments and Theory

Surface enhanced second harmonic generation (SE SHG) experiments on molecular structures, macrocycles, catenanes, and rotaxanes, deposited as monolayers and multilayers by vacuum sublimation on silver, are reported. The measurements show that the molecules form ordered thin films, where the highest degree of order is observed in the case of macrocycle monolayers and the lowest in the case of rotaxane multilayers. The second harmonic generation activity is interpreted in terms of electric field induced second harmonic (EFISH) generation where the electric field is created by the substrate silver atoms. The measured second order nonlinear optical susceptibility for a rotaxane thin film is compared with that obtained by considering only EFISH contribution to SHG intensity. The electric field on the surface of a silver layer is calculated by using the Delphi4 program for structures obtained with TINKER molecular mechanics/dynamics simulations. An excellent agreement is observed between the calculated and the measured SHG susceptibilities.