Materials Literature
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Molecular dynamics simulations are performed for poly(propylene oxide) with molecular masses between M = 104 and 5795 g/mol using an atomistic force field. From atomic trajectories extending well into the nanoseconds regime, we calculate rank-two orientational correlation functions, providing access to segmental motio…
Light-emitting diodes (LEDs) with MgZnO/ZnO/MgZnO double heterojunction structure have been fabricated and the room temperature electroluminescence (EL) spectra have been studied. With the help of double heterostructure, LEDs show better visible EL performance than that of LED with ordinary p-i-n structure. By replaci…
Cation displacements, oxygen octahedral tilts, and magnetism of epitaxial, ferrimagnetic, insulating GdTiO${}_{3}$ films sandwiched between cubic SrTiO${}_{3}$ layers are studied using scanning transmission electron microscopy and magnetization measurements. With decreasing GdTiO${}_{3}$ film thickness, structural (Gd…
The chain-length dependences of geometric and electronic structures and third-order nonlinear optical (NLO) properties of open-shell quinoidal oligothiophenes (QTs) are investigated from the viewpoint of diradical character ( y ) using the broken-symmetry density functional theory method. The results are compared with…
Abstract The first demonstration of nanodiamonds (NDs) for cellular fluorescence imaging was reported in 2005. It has since then aroused considerable interest among scientists working in the field of diamond and related materials. A large number of researches have been conducted, aimed to develop this novel nanomateri…
Fiber-based multimode combiners allow for wavelength and power scaling of laser sources while maintaining a common emission aperture and divergence. For applications in the mid-infrared spectral band, chalcogenide glass optical fibers are one of the few alternatives with high-power beam delivery. We demonstrated a 7 ×…
Abstract This work is based on the hybrid system emulator plant developed by the Thermochemical Power Group (TPG) of the University of Genoa. This rig is composed of a 100 kW microturbine coupled with high temperature fuel cell emulation devices. A real‐time model is used for components not physically present in the l…
Results from electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) experiments are used to establish the model for the ground state of the singly ionized oxygen vacancy in the interior of bulk rutile TiO2 crystals. Hyperfine from 47Ti and 49Ti nuclei show that the unpaired electron in thi…
A low-cost and transparent stainless steel fiber (SSF)/silicone resin composite was prepared by blending shortcut SSF with silicone resins. The SSF was homogeneously dispersed in resins at submicrometer scales and formed cross-linking structures. The visible light transmittance (VLT) and shielding effectiveness (SE) o…
A composite mixture of NaBH 4 and Mg 2 NiH 4 (4:5, M/M) was prepared by high-energy ball milling and was investigated for solid-state storage of hydrogen. Addition of Mg 2 NiH 4 to NaBH 4 leads to formation of the stable ternary boride phase MgNi 2.5 B 2 and lowers the enthalpy of hydrogen desorption for NaBH 4 from 1…
In this study, the residual stresses generated within the overlay-welded cladding and base material of reactor pressure vessel (RPV) steel were measured for as-welded and postwelded heat-treated conditions using the sectioning and deep-hole-drilling (DHD) techniques. In addition, thermo–elastic–plastic creep analyses…
Cis- and trans-isomeric heterotrinuclear-metallic complexes and their two-electron-oxidation products, cis-/trans-[Cp(dppe)Fe(μ-CN)Ru(bpy)2(μ-CN)Fe(dppe)Cp][PF6]2 (cis-/trans-1[PF6]2) and cis-/trans-[Cp(dppe)Fe(μ-CN)Ru(bpy)2(μ-CN)Fe(dppe)Cp][PF6]4 (cis-/trans-1[PF6]4), have been synthesized and structurally characteri…
One of the most challenging problems facing the pharmaceutical industry is to identify and quantify the phase fractions in mixed phase samples that contain crystalline, nanocrystalline, and amorphous components. Here we demonstrate an approach that accomplishes this using high energy X-rays coupled with total scatteri…
A novel strategy is reported to produce biodegradable microfiber-scaffolds layered with high densities of microparticles encapsulating a model protein. Direct electrospraying on highly porous melt electrospun scaffolds provides a reproducible scaffold coating throughout the entire architecture. The burst release of pr…
Nitrogen-doped graphene oxide (NGO) was synthesized by irradiation of graphene oxide (GO) in NH3 atmosphere. NGO obtained by irradiation of GO for 10 min has high N content of 13.62 at. %. The photoluminescence (PL) properties of NGO were investigated. The results showed that compared with GO, NGO exhibits significant…
As a promising candidate of a proton conductor under reducing atmosphere, La 2 Ce 2 O 7 has attracted considerable research interest. However, the thermodynamically stable structure of bulk La 2 Ce 2 O 7 has remained rather unclear. In this paper, first-principles calculations are carried out to resolve this issue. It…
We describe a versatile and facile route for the preparation of Janus microbeads using single emulsion droplet-based microfluidics, in which water droplets that contain a mixture of branched poly(N-isopropylacrylamide)-co-(poly(ethylene glycol)diacrylate)-co-(methacrylic acid) and colloidal particles form the basis of…
The aromatic mercapto derivative 4-aminobenzenethiol (4-ABT) is a substance that can be easily adsorbed on Au, Ag, and Cu surfaces, but in some studies, formation of 4,4′-dimercaptoazobenzene (4,4′-DMAB) on Ag and Au is described. We have studied 4-ABT on all three SERS-active metals in a spectroelectrochemical cell a…
We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding model, the Landauer formalism, and the recursion method for Green functions. We calc…
Amorphous silicon oxycarbide polymer-derived ceramics (PDCs), synthesized from organometallic precursors, contain carbon- and silica-rich nanodomains, the latter with extensive substitution of carbon for oxygen, linking Si-centered SiO(x)C(4-x) tetrahedra. Calorimetric studies demonstrated these PDCs to be thermodynam…