Materials Literature
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A detailed analysis of the selected DFT functionals for the calculations of interaction-induced dipole moment, polarizability and first-order hyperpolarizability has been carried out. The hydrogen-bonded model chains consisting of HF, H(2)CO and H(3)N molecules have been chosen as a case study. The calculations of the…
The structural and electronic properties of N-doped zigzag graphene ribbons with various ratios of dihydrogenated to monohydrogenated edge carbons are investigated within the density functional theory framework. We find that the stability of graphitic N next to the edge, which is claimed to play important roles in the…
We demonstrate structural and room temperature magnetic properties of Fe doped ZnO nanofibers (NFs) obtained by electrospinning followed by calcination. The observed NFs, formed from crystalographically oriented, approximately 4.5 nm particles conglomerates, were approximately 200 nm in diameter. The reported synthesi…
In Nature, chromophoric groups play various roles, such as oxygen carriers, electron donors, light sensitizers, which are achieved in many cases by control of their aggregation modes in proteins. Host-guest chemistry between cyclodextrins and porphyrins has attracted great interest from supramolecular chemists because…
Hypercholesterolemia increases the incidence of atherosclerosis and its pathologic complications. This study was performed to test the effect of an ethanol extract of Cynanchum wilfordii (ECW) on vascular dysfunction in rats fed with high fat/cholesterol diets (HFCD). Male rats were fed a HFCD consisting of 7.5% cocoa…
Hydroxyls are omnipresent on oxide surfaces under ambient conditions. While they unambiguously play an important role in many catalytic processes, it is not well-understood how these species influence surface chemistry at atomic scale. We investigated the adsorption of nitric oxide (NO) on a hydroxylated rutile TiO 2…
We present evidence for the generation of free carriers in aggregated single-wall carbon nanotubes by photoexcitation in the energetic range of the π→π(*) transition associated with the M saddle point of the graphene lattice. The underlying broad absorption culminating at 4.3 eV can be fit well with a Fano line shape…
The diffusion of lanthanum and manganese cations in Ba0.5Sr0.5Co0.8Fe0.2O3−δ polycrystalline ceramics was measured in the temperature range 1123 ≤ T/K ≤ 1283 at the pO2 of 0.21 bar, and at 1173 K over the range of pO2 10−5 ≤ pO2/bar ≤ 1. The diffusion coefficients of La and Mn were similar at all temperatures investig…
Abstract Bistable electrical conductivity switching behavior and write‐once, read‐many‐times (WORM) memory effects have been demonstrated in Al/polymer/ITO sandwich devices. These devices were constructed from two poly( N ‐vinylcarbazole) derivatives with pendant donor–trap–acceptor (D‐T‐A) structures. The observed el…
Methylcellulose (MC)-based films were prepared by solution casting from its 1% aqueous suspension containing 0.25% glycerol. Trimethylolpropane trimethacrylate (TMPTMA) monomer (0.1-2% by wt) along with the glycerol was added to the MC suspension. The films were cast and irradiated from a radiation dose varied from 0.…
A three-dimensional surface enhanced Raman scattering (SERS)/plasmonic sensing platform based on plasma-enabled, catalyst-free, few-layer vertical graphenes decorated with self-organized Au nanoparticle arrays is demonstrated. This platform is viable for multiple species detection and overcomes several limitations of…
Two new mesoporous SBA-15/organic hybrids featuring fluoroalcohol and fluorinated-phenol derivatives were successfully synthesized via a co-condensation route. Hexafluorobisphenol and hexafluoroisopropanol were chosen to graft onto mesostructured silica, respectively. The as-synthesized hybrids preserve their mesoscop…
Because of the large quantities of edges, graphene can serve as an efficient edge emitter for field emission (FE). Cesium iodide (CsI) coating was promising to enhance the electron emission and utilized in FE applications. In this work, FE of graphene sheets after electrophoretic deposition (ED) was studied. Electron…
We investigated LaAlO${}_{3}$-SrTiO${}_{3}$ heterointerfaces grown either in oxygen-rich or -poor atmosphere by soft x-ray spectroscopy. Resonant photoemission across the Ti L${}_{2,3}$ absorption edge of the valence band and Ti 2$p$ core-level spectroscopy directly monitor the impact of oxygen treatment upon the elec…
In the studied series of layered solids, the available coordination sites at T metal centers are occupied by water molecules which serve to stabilize additional water molecules in the interlayer region through hydrogen bonding interactions. The stability of these 2D solids results from these interactions between coord…
Abstract Waterborne polyurethane (WBPU) dispersions were prepared by pre‐polymer process using siloxane polyol, namely polydimethylsiloxane (PDMS), and polyester polyol, namely poly(tetramethyleneadipate glycol) (PTAd), as a soft segment. Three different molecular weights ( M n = 550, 6000, 110,000) of PDMS and one fi…
Abstract Using <001>‐oriented Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 ferroelectric single crystals as a model material, the impact of mechanical confinements on polarization hysteresis, coercive field, and remanent polarization of relaxor‐based piezocrystals is investigated. Comparative studies are made among rhombohedr…
Thick conductive layers containing anthraquinone moieties are covalently immobilized on gold using redox grafting of the diazonium salt of anthraquinone (i.e., 9,10-dioxo-9,10-dihydroanthracene-1-diazonium tetrafluoroborate). This grafting procedure is based on using consecutive voltammetric sweeping and through this…
Various promising concepts exist for improving the performance of productions of pure enantiomers. An efficient approach is developed for the systematic conceptual design of such processes. The proposed three-step procedure aids a fast selection of the optimal process configuration out of many possible candidates and…
Abstract A series of core/shell, iron oxide nanoparticle embedded magnetic mesoporous silica nanoparticle materials with radial (MMSN‐r) and hexagonal (MMSN‐h) porous structures are synthesized and their capacity to load and release the anticancer drugs, 9‐aminoacridine (9AA) and camptothecin (CPT) are investigated. A…