Materials Literature
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We present first-principles calculations of quantum transport in chemically functionalized metallic carbon nanotubes with lengths reaching the micrometer scale and random distributions of functional groups. Two typical cases are investigated, namely, a sp2-type bonding between carbene groups (CH2) and the nanotube sid…
Lubricants can affect quasicrystalline coating surfaces by modifying the commensurability of the interfaces. We report results of the first computer simulation studies of physically adsorbed hydrocarbons on a quasicrystalline surface: methane, propane, and benzene on decagonal Al-Ni-Co. The grand canonical Monte Carlo…
Ultrafast ET with a characteristic time constant of approximately 70 fs between CdSe QDs (mean radii of 1.4 nm) photoexcited in the lowest 1S electron state (lambda(exc) = 539 nm), and the molecular electron acceptor MV(2+) adsorbed on the QD surface was observed. The photophysics of such a system was investigated by…
Polyhedral nanocrystals of -Fe2O3 are successfully synthesized by annealing FeCl3 on silicon substrate at 1000 oC in the presence of H2 gas diluted with argon (Ar). Uniformly shaped polyhedral nanoparticles (diameter ~50-100 nm) are observed at 1000 oC and gases flow rate such as; Ar = 200 ml/min and H2 = 150 ml/min.…
Well-controlled poly(N-vinylpyrrolidone) (PVP)-grafted silicon surfaces were prepared by surface-initiated atom transfer radical polymerization (SI-ATRP) with 1,4-dioxane/water mixtures as solvents and CuCl/5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (Me6TATD) as a catalyst. The thickness of the PVP la…
We derive the analytic expressions of the electromagnetic force and torque on a dipolar particle, with arbitrary dielectric permittivity and magnetic permeability. We then develop a general framework, based on the coupled dipole method, for computing the electromagnetic force and torque experienced by an object with a…
We demonstrate that focused laser excitation at the end of silver nanowires of 50-150 nm diameter excites SERS hot-spots at points of nanoparticle adsorption many micrometers along the wire due to the plasmon waveguide effect. The total SERS intensity detected at the hot-spots following wire-end excitation correlates…
{\tt yambo} is an {\it ab initio} code for calculating quasiparticle energies and optical properties of electronic systems within the framework of many-body perturbation theory and time-dependent density functional theory. Quasiparticle energies are calculated within the $GW$ approximation for the self-energy. Optical…
Monolithic structures can be built into graphene by the addition and subsequent re-arrangement of carbon atoms. To this end, ad-dimers of carbon are a particularly attractive building block because a number of emerging technologies offer the promise of precisely placing them on carbon surfaces. In concert with the mor…
To base the kilogram definition on the atomic mass of the silicon 28 atom, the present relative uncertainty of the silicon 28 lattice parameter must lowered to 3E-9. To achieve this goal, a new experimental apparatus capable of a centimetre measurement-baseline has been made at the INRIM. The comparison between the de…
The spin-torque nano-oscillator in the presence of thermal fluctuation is described by the normal form of the Hopf bifurcation with an additive white noise. By the application of the reduction method, the amplitude-phase coupling factor, which has a significant effect on the power spectrum of the spin-torque nano-osci…
We study the statistics of flow events in the inherent dynamics in supercooled two- and three-dimensional binary Lennard-Jones liquids. Distributions of changes of the collective quantities energy, pressure, and shear stress become exponential at low temperatures, as does that of the event "size" S identical with summ…
Ceria nanoparticles with 20 and 40 at.% RE (RE = Y, Sm, Gd, and Yb) dopants were synthesized through a microemulsion method. Independently of the dopant nature and concentration, nearly monodispersed nanoparticles of size 3-5 nm were observed in high resolution transmission electron microscopic analysis. The ceria lat…
Abstract Photo‐switching: The LIESST effect could be observed by introducing π–π intermolecular interaction even for iron(III) spin‐crossover (SCO) compounds being the relatively small ΔrHL. Introduction of strong intermolecular interactions can be widely used in the design of a variety of optically switchable molecul…
A superhydrophobic surface with a static water contact angle (theta(w)) > 150 degrees was created by a simple "dip-coating" method of 60-nm SiO2 nanoparticles onto an amine-terminated (NH2) self-assembled monolayer (SAM) glass/silicon oxide substrate, followed by chemical vapor deposition of a fluorinated adsorbate. F…
Single-crystal field-effect transistors (FETs) based on a fluorocarbon-substituted dicyanoperylene-3,4:9,10-bis(dicarboximide) [PDIF-CN(2)] were fabricated by lamination of the semiconductor crystal on Si-SiO(2)/PMMA-Au gate-dielectric-contact substrates. These devices were characterized both in vacuum and in the air,…
Using calculations from first principles we have investigated the lattice thermal conductivity of ideal mono- and bi-layer graphene sheets. Our results demonstrate that the intrinsic thermal conductivity of both mono- and bi-layer graphene is around 2200 W/mK at 300 K, a value close to the one observed theoretically a…
The exciton binding energy (EBE) in CdSe quantum dots (QDs) has been determined using X-ray spectroscopy. Using X-ray absorption and photoemission spectroscopy, the conduction band (CB) and valence band (VB) edge shifts as a function of particle size have been determined and combined to obtain the true band gap of the…
Abstract Electrospinning is a well‐established and intensively investigated methodology, and is currently the only known technique that can fabricate continuous nanofibres. The major challenge associated with electrospinning is its production rate, compared with that of conventional fibre spinning. However, the unders…
Significant reinforcement of polyurethane (PU) using graphite oxide nanoplatelets (GONPs) is reported. Morphologic study shows that, due to the formation of chemical bonding, there is a strong interaction between the GONPs and the hard segment of the PU, which allows effective load transfer. The GONPs can prevent the…