Materials Literature
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The occurrence of room temperature ferromagnetism is demonstrated in pulsed laser deposited thin films of ${\mathrm{S}\mathrm{n}}_{1\ensuremath{-}x}{\mathrm{C}\mathrm{o}}_{x}{\mathrm{O}}_{2\ensuremath{-}\ensuremath{\delta}}$ ($x<0.3$). Interestingly, films of ${\mathrm{S}\mathrm{n}}_{0.95}{\mathrm{C}\mathrm{o}}_{0.…
Ab initio molecular dynamics (AIMD) simulations are performed for studying the S0→T1 excitation dynamics of psoralen compounds; namely, nonsubstituted psoralen, 5-methoxypsoralen (5-MOP), and 8-methoxypsoralen (8-MOP). The density functional theory calculations at the B3LYP/D95V level are used for evaluating the atomi…
A series of macrocycles with two different complexing sites of the type 3,3′-AA-2,2′-bipyridine, where AA = CONHCH2CH2NHCO, CONH(CH2)6NHCO, CONHCH2CH2NHCH2CH2NHCO and CONHCH2CH2CH2NHCH2CH2CH2NHCO have been synthesized by high dilution method and characterized on the basis of elemental analysis, NMR, and infrared spect…
We report on the polarizing electrochromic (EC) effect of a conjugated polymer. This has been achieved in a planar flexible electrochemical device cell comprised of a patterned stretch-aligned thin film of polyaniline and an electrolyte, all made on a polyethylene foil substrate. The resulting device exhibits polarize…
The heat capacities of o- and m-carboranes were measured with an adiabatic calorimeter in the temperature range 5–310 K. m-carborane underwent two phase transitions at 170 K and 284 K with transition entropies of 12.70 and 15.52 J K−1 mol−1. The total transition entropy agreed well with the theoretical value, indicati…
The thin island film theory developed by Bedeaux and Vlieger [Optical Properties of Surface(Imperial College Press (2002)], is used to unambiguously analyze spectroscopic ellipsometry spectra of thin layers of nanocolloidal gold particles on silicon substrates covered by a natural oxide layer, for coverages up to 35%.…
The 90° Brillouin scattering experiment has been performed on a Pb(Zn1/3Nb2/3)O3 single crystal. The frequency shift and linewidth of the c33 pure longitudinal acoustic mode and the c44 pure transverse mode show bending anomalies near Tm=397 K, at which the low-frequency dielectric constant ε has a maximum value. In a…
The oxidation of methanol on a Pt(111)–(2×2)O surface has been investigated by infrared reflection absorption spectroscopy and temperature-programed desorption. Methanol is dehydrogenated to produce methoxy species in the annealing temperature range from 130 to 170 K. Above 170 K, the reaction proceeds differently, de…
We calculate the density of states of a binary Lennard-Jones glass using a recently proposed Monte Carlo algorithm. Unlike traditional molecular simulation approaches, the algorithm samples distinct configurations according to self-consistent estimates of the density of states, thereby giving rise to uniform internal-…
Mn-doped ZnGa2O4−xSex thin film phosphors have been grown using pulsed-laser ablation under various growth conditions. The structural characterization was carried out on a series of ZnGa2O4−xSex:Mn2+ films grown on MgO(100) substrates using Zn-rich ceramic targets. Zn-rich ceramic targets have been prepared to compens…
Abstract Three different, new germanium initiators were used for ring‐opening polymerization of L ‐lactide. Chlorobenzene and 120 °C was a usable polymerization system for solution polymerization, and the results from the polymerizations depended on the initiator structure and bulkiness around the insertion site. The…
The leakage and dielectric properties of a thickness series (90–480 nm) of {100} fiber-textured metalorganic chemical vapor deposited (Ba0.75Sr0.25)Ti1+yO3+z (BST) thin films on Pt/SiO2/Si were investigated. The permittivity demonstrated a suppressed temperature and electric field response that transitioned to a more…
The curing temperature is found to greatly affect the operating voltage, contrast ratio, hysteresis, and response time of the reversed-mode liquid crystal (LC) gels. For the gels using E48 LC host, the optimal curing temperature is around 40–50 °C. An LC gel with contrast ratio exceeds 2000:1 (at ∼2° collection angle)…
Spectroscopic, structural, and magnetic data are presented for Fe(C(3)H(4)N(2))(6)(NO(3))(2), which facilitate a precise definition of the electronic and molecular structure of the [Fe(Im)(6)](2+) cation. The structure was determined at 120(1) K by X-ray diffraction methods. The salt crystallizes in the trigonal space…
The reversible, stepwise formation of individual Nb-mu-O-Nb linkages during acid condensation of 2 equiv of A-alpha-[SiNb(3)W(9)O(40)](7-) (1) to the tri-mu-oxo-bridged structure A-alpha-[Si(2)Nb(6)W(18)O(77)](8-) (4) is demonstrated by a combination of X-ray crystallography and variable-pD solution (183)W and (29)Si…
Solvent dependence of the electronic structure and nonlinear optical properties of the para-nitroaniline (pNA) molecule on the polarity of the solutions has been studied using the polarizable continuum model in combination with the hybrid density functional theory. With a supermolecular approach, specific hydrogen bon…
Recent experimental studies on nanocrystalline metals have shown that mechanical strength may decrease with decreasing grain size d for d&lt;10–15 nm. The mechanisms underlying this trend are not understood, although such a relationship is in distinct contrast to that seen in microcrystalline metals whereby streng…
Structure transformations for crystalline bundles of single walled carbon nanotubes (10,10), (8,8), and (6,6), in response to external pressure are modeled by first-principles calculations. Upon pressure, the circular tube section is first transformed into an elliptical shape. Further pressure then leads to a flattene…
The dynamic hysteresis response of ferroelectric SrBi2Ta2O9 thin films versus periodically varying electric field over a frequency range of f=10−1–106 Hz and amplitude range of E0=15–158 kV/cm is measured utilizing the Sawyer–Tower method. The dynamic order parameter Q shows anomalous behavior against the field amplit…
We report a very large enhancement of the thermopower of 4 nm diameter metallic Zn nanowires, with a temperature dependence that is consistent with that of their electrical resistivity and the Mott formula. The temperature dependence of the resistance, magnetoresistance, and thermopower of composites consisting of 15,…