Materials Literature
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Nonstationary heat conduction in a single-walled carbon nanotube was investigated by applying a local heat pulse with duration of subpicoseconds. The investigation was based on classical molecular dynamics simulations, where the heat pulse was generated as coherent fluctuations by connecting a thermostat to the local…
Ba doped BiFeO3 compounds were prepared by a solid-state reaction. X-ray diffraction showed that Bi1−xBaxFeO3 was single phase up to x=0.25. These samples exhibited magnetism and ferroelectricity simultaneously at room temperature. The magnetoelectric coupling was evidenced by the increase of the dielectric constant w…
Lead-free potassium sodium niobate piezoelectric ceramics substituted with lithium and antimony (Na0.5K0.5)1−x(LiSb)xNb1−xO3 have been synthesized by conventional solid state sintering method. Compositionally engineered around the orthorhombic-tetragonal polymorphic phase transition, the dielectric and piezoelectric p…
The ability of cyclodextrins, CyDs, to form inclusion complexes with a wide variety of hydrophobic guest molecules has been used in agriculture.Their ability to alter the physical, chemical, and biological properties of guest molecules has been used for the preparation of new formulations of pesticides.CyDs form compl…
We calculate the electronic contribution to the thermal conductance in a quantum dot that is weakly coupled via tunnel barriers to two electrons reservoirs. A linear response model is derived for the calculation of the heat current Q through the quantum dot when a small temperature difference and a small voltage diffe…
Ferromagnetism with high Curie temperature $T_c$, well above room temperature, and very small saturation moment has been reported in various carbon and boron systems. It is argued that the magnetization must be very inhomogeneous with only a small fraction of the sample ferromagnetically ordered. It is shown that a po…
Electron spin transient nutation spectroscopy has been applied to a moderately coupled excited triplet and doublet spin-pair. In a biphenylene-linked copper(II)-free base porphyrin dimer, laser irradiation of either the free base half or the copper half, leads to excitation to the excited states and relaxation to the…
The aim of this work is to understand the effects of the shrinkage phenomenon in H-PDLC reflection gratings through the realtime analysis of their transmission spectra during the recording process. The realtime spectroscopic analysis of the samples showed a light intensity dependent free-radical polymerization indicat…
CdSe is one of the well known II-VI semiconductor materials having a band gap of 1.74 eV, suitable for photovoltaic cell, light emitting diodes, and thin film transistors (TFTs). [1][2]2][3] Due to these variety of applications, various methods such as chemical bath deposition, 4 vacuum evaporation, 5 sputtering, 6 an…
Abstract Photochromic polymers that exhibit thermally irreversible and photochemically reversible color changes were synthesized by radical polymerization of a styrene monomer having a photochromic diarylethene chromophore. The photocoloration reaction of the polymer proceeded with high conversion even in the solid-st…
The radical sites generated by the visible light irradiation of nitrogen-doped TiO2 particles prepared by a mechanochemical method have been studied using cw-EPR spectroscopy. The powders prepared by planetary milling of the anatase TiO2 with urea clearly show an absorption in the visible region, indicating doping of…
We report on the spectroscopic determination of nonradiative host to activator transfer efficiencies in Eu 3+ -doped Y 2 O 3 and YBO 3 under vacuum ultraviolet excitation. The calculation of transfer efficiency is described, and the transfer efficiency behavior of both hosts is assessed in terms of accepted energy flo…
Abstract We found a series of polymorphs with different colors in 2,5-diamino-3,6-dicyanopyrazine dyes. Their color difference was found to be caused by conformational change in the crystals, not by exciton interactions.
Abstract The mono-urea derivative 3 derived from 4-(2-aminoethyl)pyridine and dodecyl isocyanate gelled aromatic solvents, such as p-xylene, tetralin, and benzene, in the presence of Ag(I). The complex formation by the coordination of two equivalents of mono-urea 3 to Ag(I) and the intermolecular hydrogen bonding betw…
The pressure-induced phase transformations in pure LiAlH4 have been studied using in situ Raman spectroscopy up to 7 GPa. The analyses of Raman spectra reveal a phase transition at approximately 3 GPa from the ambient pressure monoclinic alpha-LiAlH4 phase (P2(1)/c) to a high pressure phase (beta-LiAlH4, reported rece…
In this work, an on-line preparation of peroxymonocarbonate was formed innovatively, which offered a reliable intermediate for further investigation. The forming conditions of on-line peroxymonocarbonate ions were investigated in detail. Meanwhile, the energy transfer chemiluminescent reaction of peroxymonocarbonate a…
We have used dynamic self-consistent field (DSCF) theory to investigate the structural evolution of an ABA block copolymer thin film placed between a solid substrate and a free surface. In line with the few existing theoretical studies for pure homopolymers and mixtures, the free interface is introduced by a void comp…
Adenylate kinase from E. coli (AKeco), folded into domains CORE, AMPbd, and LID, catalyzes the reaction AMP + ATP <--> 2ADP. Previous X-ray crystallography and optical solution methods showed that the domains AMPbd and LID, and the conserved P-loop, execute large-amplitude catalysis-related motions. We used (15)N NMR…
Protein-carbohydrate interactions are increasingly being recognized as essential for many important biomolecular recognition processes. From these, numerous biomedical applications arise in areas as diverse as drug design, immunology, or drug transport. We introduce SLICK, a package containing a scoring and an energy…
Silver nanoparticles were assembled on polyvinylpyridine (PVP) derivatized glass slides. Charge transfer between the adsorbed 4-aminothiophenol (PATP) and the immobilized silver nanoparticles was studied by surface-enhanced Raman spectroscopy with 1064 nm excitation, and compared with that of the silver nanoparticles…