Materials Literature
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We present a theoretical study of the deformation of mesoporous solids during adsorption. The proposed thermodynamic model allows one to link the mechanical stress and strain to the solvation pressure exerted by the adsorbed molecules on the pore wall. Two approaches are employed for calculation of solvation pressure…
Abstract Nanostructured ZnO thin films were coated on glass substrate by spray pyrolysis using Zinc acetate dihydrate as precursor. Effect of precursor concentration on structural, morphological, optical and electrical properties of the films was investigated. The crystal structure and orientation of the ZnO thin film…
Surface cation exchange of ZnII for InIII allows the emission of Cu-doped zinc indium selenide semiconductor nanocrystals to be tuned in the range of 660–540 nm, and thus the emission color to be varied from red to green (see picture; the arrow indicates increasing ZnII content).
The hydrophobic block of polymeric micelles formed by amphiphilic copolymers has no direct therapeutical effect, and the metabolites of these hydrophobic segments might lead to some unexpected side effects. Here the hydrophobic core of polymeric micelles is replaced by highly water-insoluble drugs themselves, forming…
Few-atom silver clusters harbored by DNA are promising fluorophores due to their high molecular brightness along with their long- and short-term photostability. Furthermore, their emission rate can be enhanced when co-illuminated with low-energy light that optically depopulates the fluorescence-limiting dark state. Th…
Electrophilic activation and subsequent reduction of substrates is in general not possible because highly Lewis acidic metals lack access to multiple redox states. Herein, we demonstrate that transition metal-like redox processes and electronic structure and magnetic properties can be imparted to aluminum(III). Bis(im…
Conjugated polymers can be reversibly doped by electrochemical means. This doping introduces new subband-gap optical absorption bands in the polymer while decreasing the band-gap absorption. To study this behavior, we have prepared an electrochemical cell allowing in situ measurements of the optical properties of the…
We present results on terahertz (THz) spectroscopy on epitaxial vanadium dioxide (VO(2)) films grown on sapphire across the metal-insulator transition. X-ray diffraction indicates the VO(2) film is highly oriented with the crystallographic relationship: (002)(film)//(0006)(sub) and [010](film)//[2 ̅1 ̅10](sub). THz st…
Surface state localization and hybridization on B, Mg, and Li terminated MgB_2(0001) surfaces are studied within density functional theory (DFT). For the B terminated surface we find a low energy B σ_1 surface state, a spz surface state, and B σ_2 and σ_3 quantum well states, which are 90% localized in the topmost B l…
We theoretically propose the necessary conditions for realization of giant Rashba splitting in bulk systems. In addition to (i) the large atomic spin-orbit interaction in an inversion-asymmetric system, the following two conditions are further required; (ii) a narrow band gap, and (iii) the presence of top valence and…
We show that the fluorescence emission from individual hybrid nanostructures composed of Au nanorod cores and oxazine 725-embedded mesostructured silica shells is strongly polarized, with the degree of polarization being equal to that of the light scattered by the nanorod and varying from 0 to 1 as the longitudinal pl…
ABSTRACT We developed a tissue‐engineered vascular graft composed of biodegradable scaffold seeded with autologous bone marrow‐derived mononuclear cells (BMMCs) that is currently in clinical trial and developed analogous mouse models to study mechanisms of neovessel formation. We previously reported that seeded human…
To determine the ability of semiconductors templated by α-helical polypeptides to form higher order structures and the charge carrier properties of the supramolecular assemblies, L-lysine was functionalized with a sexithiophene organic semiconductor unit via iterative Suzuki coupling and the click reaction. The result…
We report on a systematic study of the density dependence of mobility in a low-density Carbon-doped (100) GaAs two-dimensional hole system (2DHS). At T= 50 mK, a mobility of 2.6 x 10^6 cm^2/Vs at a density p=6.2 x 10^10 cm^- was measured. This is the highest mobility reported for a 2DHS to date. Using a back-gated sam…
Thin-film nanocomposites, consisting of silver nanoparticles embedded in a dielectric Teflon\textregistered AF matrix, were synthesized using vapor phase co-deposition. The electrical conductivity of these composites was measured in-situ as a function of film thickness at various metal concentrations. At low metal con…
Silver nanoparticles embedded in a dielectric matrix are investigated for their potential as broadband-absorbing optical sensor materials. This contribution focuses on the electrical properties of silver nanoparticles at various morphological stages. The electrical current through thin films, consisting of silver nano…
First principles calculations have given a new insight into the energies of point defects in many different materials, information which cannot be readily obtained from experiment. Most such calculation are done at zero Kelvin, with the assumption that finite temperature effects on defect energies and barriers are sma…
To investigate chemical reactivity of Cu atomic-scale structures, we performed simulations based on the generalized gradient approximation in the density functional theory. An atomic layer of Cu forming a triangular lattice (TL) was found to give a stable structure. The nitrogen monoxide molecule (NO) was adsorbed on…
We have successfully induced multiferroic behavior in the $A$-type antiferromagnet SmMnO${}_{3}$ by the substitution of Y at the Sm site. A magnetic transition develops at $~$24 K for Sm${}_{1\ensuremath{-}x}$Y${}_{x}$MnO${}_{3}$ ($x=0.4,0.5$) which is not present in the parent compound. This transition coincides with…
We prove a spontaneous magnetization of the oxygen-terminated ZnO (0001) surface by utilizing a multi-code, SIESTA and KKR, first-principles approach, involving both LSDA+U and selfinteraction corrections (SIC) to treat electron correlation effects. Critical temperatures are estimated from Monte Carlo simulations, sho…