Materials Literature
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Electronic absorption spectra of six porphyrin-like photosensitizers, porphyrin, chlorin, bacteriochlorin, pheophytin a, porphyrazin, and texaphyrin, have been calculated within the time-dependent DFT framework (TDDFT) in conjunction with the PBE0 hybrid functional. Energetic and orbital aspects are discussed by compa…
Epidermal growth factor (EGF)-conjugated copolymer micelles were prepared from a mixture of diblock copolymers of methoxy poly(ethylene glycol)-block-poly(delta-valerolactone) (MePEG-b-PVL) and EGF-PEG-b-PVL for targeted delivery to EGF receptor (EGFR)-overexpressing cancers. The block copolymers and functionalized bl…
The systematic comparison of the atomic structure of solid compounds has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of structure prediction and structure determination of crystalline solids. In this work, an efficient and robust algorithm for the…
A relationship between conformation and photophysics of poly[2-methoxy-5-(2‘-ethylhexoxy)- p -phenylenevinylene] (MEH−PPV) in dilute solution was investigated by utilizing UV/vis absorption, excitation, and emission spectroscopy. By tuning polymer−solvent interactions, a control of conjugation length which relates to…
Powder diffraction data collected on a nanocrystalline ceria sample within a round robin conducted by the IUCr Commission on Powder Diffraction were analysed by two alternative approaches: (i) whole-powder-pattern modelling based upon a fundamental microstructural parameters approach, and (ii) a traditional whole-powd…
The reaction of the mixed-metal lanthanide/magnesium allyl complexes [Ln( η 3 -C 3 H 5 ) 3 ( μ -C 4 H 8 O 2 )·Mg( η 1 -C 3 H 5 ) 2 ( μ -C 4 H 8 O 2 ) 1.5 ] n (Ln = La, 1; Y, 2 ) with the diketimine 2-(2,6-diisopropylphenyl)amino-4-(2,6-diisopropylphenyl)imino-2-pentene (BDI-H) in THF at 60 °C leads to the isolation of…
Hydrogenation and posthydrogenation annealings have been used as a very efficient tool to tune the hole density over a wide range, at fixed magnetic moment concentration, in thin GaMnAs layers. Reduction of the hole density resulted in strong modifications of their ferromagnetic properties. In particular, we observed…
A new software package, DISTL ( Diffraction Image Screening Tool and Library ), for the rapid analysis of X-ray diffraction patterns collected from macromolecular crystals is presented. Within seconds, the program characterizes the strength and quality of the Bragg spots, determines the limiting resolution of the imag…
Absolute calibration relates the measured (arbitrary) intensity to the differential scattering cross section of the sample, which contains all of the quantitative information specific to the material. The importance of absolute calibration in small-angle scattering experiments has long been recognized. This work detai…
We report on a complex nontrivial behavior of the optical anisotropy of quantum dots that is induced by a magnetic field in the plane of the sample. We find that the optical axis either rotates in the opposite direction to that of the magnetic field or remains fixed to a given crystalline direction. A theoretical anal…
In a recent Letter Lee et al. studied the spin 1/2 photoluminescence-detected magnetic resonance (PLDMR) of a soluble derivative of poly-phenylene vinylene [MEH-PPV] and argued that it originates from the interaction of triplet excitons with polarons. We show that in MEH-PPV as well as in other conjugated polymers the…
We designed and performed low temperature DC transport characterization studies on two-dimensional electron gases confined in lattice-matched In$_{0.53}$Ga$_{0.47}$As/In$_{0.52}$Al$_{0.48}$As quantum wells grown by molecular beam epitaxy on InP substrates. The nearly constant mobility for samples with the setback dist…
Model calculation and experimental data of circularly-polarized-light-dependent photocurrent in a n-AlGaAs/p-InGaAs/p-GaAs heterostructure are reported. It is found that, under the appropriate forward bias condition, spin voltaic effect (SVE) can survive across the heterojunction and give rise to detectable polarizati…
Analogues of cholesterol (compounds 1 and 2) and coprostanol (compound 3) containing the BODIPY fluorophore in the aliphatic tail of the free sterol have been synthesized starting with bisnorcholenic acid, cholenic acid 3beta-acetate, and lithocholic acid, respectively. An ester linkage joining the fluorophore to the…
Low-frequency current fluctuations are investigated over a bias range covering {\em ohmic}, {\em trap-filling} and {\em space-charge-limited current} regimes in polycrystalline polyacenes. The relative current noise power spectral density ${\cal S}(f)$ is constant in the {\em ohmic} region, steeply increases at the {\…
In this paper, we report the applicability of the density matrix renormalization group(DMRG) approach to the cylindrical single wall carbon nanotube (SWCN) for purpose of its correlation effect. By applying the DMRG approach to the $t$+$U$+$V$ model, with $t$ and $V$ being the hopping and Coulomb energies between the…
Abstract Differential scanning calorimetry has been used to examine blends of a poly(ethylene oxide) (PEO), M n = 300 g/mol, and a poly(methylmethacrylate) (PMMA), M n = 10,000 g/mol, across the complete composition range. The relatively low molar mass of the PEO minimizes interference from crystallization. In the mid…
Ferromagnetic insulators that exhibit strong ferromagnetism at the atomic level are believed to be suitable for magnetic dielectric barriers in spintronic devices and solid-state qubits in quantum computing. Here a giant magnetic moment of $6.1{\ensuremath{\mu}}_{B}∕\mathrm{Co}$ and a high Curie temperature ${T}_{C}$…
The photocatalytic activities of R3MO7 and R2Ti2O7 (R=Y, Gd, La; M=Nb, Ta) strongly depended on the crystal structure. Overall, photocatalytic water splitting into H2 and O2 proceeded over La3TaO7 and La3NbO7, which have an orthorhombic weberite structure, Y2Ti2O7 and Gd2Ti2O7, which have a cubic pyrochlore structure,…
Impurity doping often alters or improves the properties of materials. In alumina, grain boundaries play a key role in deformation mechanisms, particularly in the phenomenon of grain boundary sliding during creep at high temperatures. We elucidated the atomic-scale structure in alumina grain boundaries and its relation…