Materials Literature
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The thermal conductivity of thin films of the phase-change material Ge2Sb2Te5 is measured in the temperature range of 27°C<T<400°C using time-domain thermoreflectance. From the low thermal conductivity of amorphous phase, the conductivity increases irreversibly with increasing temperature and undergoes l…
Nanoparticles, such as quantum dots (QDs), composed of biologically toxic materials degrade in highly oxidative environments. Varying the QD surface coating significantly affects the intracellular uptake of QDs. Although the addition of PEG does not alter the inherent QD cytotoxicity, we demonstrate that the improved…
Starting from a microscopic tight-binding model and using second-order perturbation theory, we derive explicit expressions for the intrinsic and Rashba spin-orbit interaction induced gaps in the Dirac-like low-energy band structure of an isolated graphene sheet. The Rashba interaction parameter is first order in the a…
A general method is proposed for calculating a fully k-dependent, continuous, and causal spectral function A(k,E) within the recently introduced nonlocal version of the coherent-potential approximation (NLCPA). The method involves the combination of both periodic and anti-periodic solutions to the associated cluster p…
The syntheses, X-ray structures, and magnetic properties of two 3D cyano-bridged assemblies, Cs I 2 Cu II 3 [W IV (CN) 8 ] 2 ·4NH 3 ·4H 2 O ( 1 ) and Cu II 2 [Mo IV (CN) 8 ]·8NH 3 ( 2 ), are presented. Both complexes 1 and 2 were synthesized in aqueous ammonia solution, and the crystal growth was dynamically controlle…
Au-MCH nanoclusters of (1.5 +/- 0.3) nm diameter (MCH = 6-mercapto-1-hexanol, HS-(CH2)6-OH) have been prepared and characterized by Transmission Electron Microscopy (TEM), UV-visible, Nuclear Magnetic Resonance (NMR), Fourier Transform Infrared (FTIR) absorption spectroscopies, X-ray Powder Diffraction (XRD), and Ther…
We present a simple method based on the dispersion of fluorescent quantum dots (QD) into a liquid crystal phase that provides either nanostructured material or isolated QD micelles depending on water concentration. The liquid-crystal phase was obtained by using a gallate amphiphile with a poly(ethylene glycol) chain a…
Tower-like ZnO submicron- and nanostructures were synthesized by simply evaporating a mixture of Zn and Ga. Scanning electron microscopy and transmission electron microscopy observations showed that the regular hexagonal tower-like structure is likely to be made up in a layer-by-layer fashion and consist of sheets. Ac…
FT-IR, FT-Raman and electronic absorption spectroscopies were utilized in conjunction with density functional theory (DFT) calculations to investigate the ground and excited states of self-assembled dinuclear dimeric helicates (ZnL)2 and (NiL)2 [L = bis(2,4-dimethyldipyrrin-3-yl)methane]. These studies afford a detail…
Field effect transistors have been fabricated using Bi2S3 nanowires. Whether the contact is ohmic or non-ohmic, the current of Bi2S3 nanowires was found to increase remarkably in H2 compared to that in a vacuum. Carrier density and mobility within the nanowires and the contact barriers between the nanowires and the el…
Water-soluble pi-conjugated polymers (CPs) incorporating 5,5'-(2,2'-dipyridyl) (CP1) or 6,6'-(2,2'-dipyridyl) (CP2) units within the pi-conjugated backbone were prepared as scaffolds for macromolecular metal complexation. The response of CP emission to a range of metal ions was investigated in water, 10 mM aqueous sod…
ZnO films prepared by one-step electrodeposition in the presence of dissolved eosin molecules present an internal nanoporous hybrid structure resulting from self-assembling processes occurring in solution between ZnO and eosin components. This study aims to better understand the underlying growth mechanism, which is s…
4,6-Di-2'-pyridylpyrimidine is employed as a bis(diimine) ligand bridging two cobalt bis(dioxolene) centers. The thermally induced valence tautomeric transitions of these two metal centers are coupled through the ligand. The result is that sequential switching from high-spin Co(II) to low-spin Co(III) of one center, f…
A urea-containing mesoporous silica with intraframework urea groups (UreaMS) was synthesized via a surfactant-templated route by co-condensation of an organosilane precursor and tetraethoxysilane. The material possesses hexagonal pores with a high degree of uniformity and shows long-range order as confirmed by the mea…
A rigid trinuclear copper pyrazolato framework supports the solvolytic exchange of mu3-X by mu3-OR ligands (X = Cl and Br; R = alkyl group), converting the trinuclear ferromagnetically coupled S = 3/2 system to antiferromagnetically coupled S = 1/2 in the solid state. In contrast, we propose that, in alcoholic solutio…
The ethylene epoxidation cycle in a H2O2/H2O-loaded Ti zeolite has been simulated by a Car-Parrinello approach. Results indicate a process where the zeolitic framework is the active oxygen mediator. The dissociative chemisorption of H2O2 leads, via a transient Ti-hydroperoxo species, to H2O and a Ti-peroxo zeolite int…
The reactions of [M(II)(Tpm(Me))(H2O)3]2+ (M = Ni, Co, Fe; Tpm(Me) = tris(3,5-dimethyl-1-pyrazoyl)methane) with [Bu4N][(Tp)Fe(III)(CN)3] (Bu4N+ = tetrabutylammonium cation; Tp = tris(pyrazolyl)hydroborate) in MeCN-Et2O afford three pentanuclear cyano-bridged clusters, [(Tp)3(Tpm(Me))2Fe(III)3M(II)2(CN)9]ClO4.15H2O (M…
NMR chemical shifts were calculated for semiconducting (n,0) single-walled carbon nanotubes (SWNTs) with n ranging from 7 to 17. Infinite isolated SWNTs were calculated using a gauge-including projector-augmented plane-wave (GIPAW) approach with periodic boundary conditions and density functional theory (DFT). In orde…
Hexagonal CoO nanocrystals are coarsened under hydrothermal conditions to investigate the effect of particle size on phase transformation and stability property. Structural stability and phase transformation of the hexagonal CoO phase have been investigated by X-ray powder diffraction with Rietveld refinement, transmi…
Valvular heart disease is still a significant cause of morbidity and mortality worldwide. Clinically used valve replacements including mechanical valves as well as fixed biological xeno- or homografts are associated with several major disadvantages. Alternatively, tissue engineering aims at the fabrication of autologo…