Materials Literature
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The electronic structure and magnetic properties for GdScGe system have been studied via a first-principles density functional calculation. The energy band structure has been calculated in a generalized gradient approximation, plus Hubbard U approach. For Gd atoms, seven spin-up 4f bands are fully occupied and situate…
We have proposed a concept of a photoelectronic hybrid device utilizing gold nanoparticles (GNPs), which are supposed to function not only as the plasmon antenna but also as the sensing part. The photocurrent in the fabricated device, consisting of a transparent Nb-doped TiO2 channel and Au electrodes, was enhanced mo…
Abstract Two kinds of novel benzocyclobutene ( BCB ) functionalized monomers were synthesized through imidization of siloxane‐containing dianhydride with 4‐aminobenzocyclobutene. The BCB monomers obtained exhibited good solubility in various organic solvents. They were converted into crosslinked polymer via ring openi…
Ultrafine hafnium diboride (HfB 2 ) powders were synthesized by the boro/carborthermal reduction process. Fine‐scale mixing of the reactants was achieved by solution‐based processing using hafnium oxychloride (Hf OC l 2 ·8H 2 O) and phenolic resin as the precursor of HfO 2 and carbon respectively. The heat treatment w…
The present work deals with the study on thermal and evaporative resistance of multilayered fabric ensembles meant for cold weather applications. Three-layered structure is used to study the thermal comfort properties. Knitted fabric and polytetrafluoroethylene coated fabrics were used in inner and outer layer, respec…
Abstract Silicon nanocrystals (Si NCs) embedded in Si‐based dielectrics provide a Si‐based high band gap material (1.7 eV) and enable the construction of all‐crystalline Si tandem solar cells. However, Si nanocrystal formation involves high‐temperature annealing which deteriorates the properties of any previously esta…
The two binary clathrates with vacancies (□) Rb8Sn44□2 and Cs8Sn44□2 have been examined using powder inelastic neutron scattering (INS). Rattling energies of Rb and Cs are found to be similar by both experiment and calculations, ℏωCs/ℏωRb|Exp.=0.98(1) and ℏωCs/ℏωRb|Calc.=1.0, despite the significant mass difference: m…
The influence of the concentration and time of addition of cosubstrate (pentanol) on the molecular weight (MW) of the polyhydroxybutyrate/valerate (PHBV) copolymer synthesized by Methylobacterium extorquens G-10 during cultivation in a methanol-containing medium has been studied. It was shown that an increase in the p…
Hackmanite (Na 8 [AlSiO 4 ] 6 Cl 2– y – z (S x 2– ) y □ z ) is a rare photochrome variety of sodalite (Na 8 Al 6 Si 6 O 24 Cl 2 ) that shows orange colored photoluminescence in UV light, exhibits a purple-red color subsequently to UV irradiation or after cracking, bleaches within minutes to hours in visible light, and…
Abstract The lattice thermal conductivity is known to depend on crystal quality, but the reduction in thermal conductivity due to specific defects is presently unclear. Molecular dynamics simulations were used to investigate the impact of microstructural defects on the thermal conductivity of gallium nitride. The cond…
We present an approach for diameter control of vertically aligned ZnO nanowires (NWs) grown directly on copper substrates. Vapor-solid growth was done at 550 °C with solid Zn precursor under Ar/O2 flow, and the resulting nanowires with in situ-controllable diameters ranged between 50 to 500 nm. The nanowires were obse…
The perovskite multiferroic bismuth ferrite (BiFeO3) particles were synthesized by hydrothermal method under external magnetic fields with respective intensities of 0 T, 4 T, 8 T, and 12 T. High magnetic field greatly affected the growth behavior and magnetic property of BiFeO3. The morphology of BiFeO3 changed from r…
Abstract Periodic DFT calculations have been performed to systematically investigate the catalytic mechanisms of ammonia (NH 3 ) decomposition on clean, O‐ and OH‐assisted Ir(1 1 1) surfaces. The adsorption configurations, reaction energies and barriers, and elementary steps were elaborated. Our results show that the…
Electric field (E) control of the magnetic anisotropy and coercivity (HC) of a Fe film in Fe/BaTiO3 (BTO) is demonstrated at room temperature in the tetragonal phase of BTO. Polarizing microscopy and x-ray diffraction analysis of BTO (001) surface show distinctly two different regions; one with a1, a2 and c domains se…
Die gemeinsame Assemblierung von sphärischen Kolloiden und Mikroröhren bestehend aus Tensiden und Cyclodextrinen führte zu dynamischen Kolloid-in-Röhre-Strukturen, darunter Helices. In-situ-Beobachtungen dieser Strukturen, u. a. ihres thermoreversiblen Auf- und Abbau, demonstrieren das Zusammenspiel von molekularer un…
The synthesis of solution crystallization processes is a complex task that often leads to multiple process options. In order ensure design reproducibility and reliability, a hierarchical design procedure has been proposed. The procedure has compared favorably to the currently accepted procedure because the number of d…
The microstructure and crystal orientations of polycrystalline films crucially affect the properties and performance of the films. Controlling preferred orientations (PO) and related film morphology are necessary to obtain the desirable properties. In this paper, we demonstrate a rational and effective route toward th…
A series of poly(vinyl alcohol)/poly(propylene glycol) (PVA/PPG) blend films with different PPG contents were prepared by casting the polymer blend solutions. Structure and morphologies of the PVA/PPG blend films were studied by Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). Th…
Polymerization of the aniline in the presence of polyvinyl alcohol is carried out in water for preparation of polyaniline (PANI) nanospheres. The surface structures are observed with scanning electron microscopy (SEM). Carbonization of the PANI nanospheres provides carbon nanobeads structures. Preparation of PANI nano…
We have performed systematic studies of the lattice dynamics in $L$FeAsO ($L=\text{La}$, Ce, Pr, Nd, Sm) in the parent and in the $\ensuremath{\sim}$10% F-doped compounds as a function of pressure and temperature. We have found that the modifications in the partial Fe density of phonon states are mainly governed by th…