Materials Literature
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Using numerical simulations we study the pinning and dynamics of interacting colloids on periodic one-dimensional substrates. As a function of colloid density, temperature, and substrate strength, we find a variety of pinned and dynamic states including a locked smectic, pinned buckled, two-phase flow, and moving part…
Hydrogen bonding effects on surface structure, photophysical properties, and photoelectrochemistry have been examined in a mixed film of porphyrin and fullerene composites with and without hydrogen bonding on indium tin oxide and nanostructured SnO2 electrodes. The nanostructured SnO2 electrodes modified with the mixe…
Changes in the UV-vis spectra and induced circular dichroism (ICD) signals observed, in correspondence with the porphyrin Soret region, for aqueous solutions of achiral 5,10,15,20-tetrakis{p-[omega-methoxy poly(oxy-ethylene)]phenyl}porphyrin cobalt (II) (Co-P) and aromatic alpha-L-amino acids (Trp and Phe) give direct…
The preparation of mesoporous tungsten trioxide from tungstic acid and tungstic hexaethoxide precursors containing an added organic stabiliser via a sol–gel method is reported. The effect of annealing temperature and precursor species on the photoelectrochemical performance and the electrochromic colouration efficienc…
A theory for the size dependence of the coefficient of thermal expansion (CTE) of nanostructures is developed. The theory predicts that the fractional change in the CTE from the bulk value scales inversely with the size of the nanostructure. An explicit relation for the intrinsic length scale that governs the size dep…
We have investigated the third-order optical nonlinearity of poly(3-hexylthiophenes) with various head-to-tail coupling ratios (r), using the third-harmonic generation method. An increase in r leads to a reduction in optical gap energy (Eg) and an increase in the third-order nonlinear susceptibility (χ(3)). For r=0 to…
In order to further elucidate the local structure of vanadate glasses, x-ray photoelectron spectroscopy (XPS) and magnetization studies are reported on a series of SrO-vanadate and SrO-borovanadate glasses: $[{(\mathrm{Sr}\mathrm{O})}_{x}{({\mathrm{V}}_{2}{\mathrm{O}}_{5})}_{1\ensuremath{-}x}]$, $[{(\mathrm{Sr}\mathrm…
The propagation of heat pulses in single-wall carbon nanotubes has been investigated using molecular dynamics simulations. It is found that heat pulses of picosecond duration in (10,0), (7,0), and (5,5) single-wall carbon nanotubes induce several wave packets that propagate at different propagation speeds. The leading…
This article deals with anionic ring-opening polymerization of a bifunctional cyclic carbonate consisting of both five- and six-membered rings (65CCP) and anionic depolymerization of the obtained polymer. Anionic ring-opening polymerization of 65CCP initiated with 1,8-diazabicyclo[5.4.0]-7-undecene (DBU) afforded a po…
Experimental cloud-point data for poly(ε-caprolactone) in supercritical CO 2, CHClF 2, dimethyl ether(DME), 1-butene, and propylene at high pressure were measured at temperatures from 40 to 230 °C and pressures up to 2 830 bar. Poly(ε-caprolactone) was dissolved well in DME and CHClF 2 below 500 bar and in CO 2, 1-but…
Density functional theory (DFT) computations have been carried out to study the structure and stability of MoSx clusters with the change of sulfur coverage at both Mo and S edges. DFT shows that adding sulfur to the Mo edge is always exothermic. However, deleting corner sulfur from the S edge is exothermic for 67 and…
The molecular chain reorganization in freely standing membranes with encapsulated gold nanoparticles was studied with surface enhanced Raman scattering (SERS) in the course of their elastic deformations. The efficient SERS was enabled by optimizing the design of gold nanoparticle forming chainlike aggregates, thus cre…
Powder neutron diffraction analysis on $^{11}\mathrm{B}$-enriched samples of ${\mathrm{Li}}_{2}{\mathrm{Pd}}_{3}\mathrm{B}$ and ${\mathrm{Li}}_{2}{\mathrm{Pt}}_{3}\mathrm{B}$ confirms the stability, down to liquid helium temperatures, of their antiperovskite structure (space group $P{4}_{3}32$). The low-temperature no…
Alkylation of nanotube salts prepared using either lithium, sodium, or potassium in liquid ammonia yields sidewall-functionalized nanotubes that are soluble in organic solvents. Atomic force microscopy and transmission electron microscopy studies of dodecylated SWNTs prepared from HiPco nanotubes and 1-iodododecane sh…
Red-shifting of the optical absorption spectra of aggregates of gold nanoparticles by dipole-dipole interactions is of considerable interest, both for theoretical reasons and because the phenomenon can be potentially exploited in various applications. A convenient and practical way to control the effect is to assemble…
In the present work, the molecular interactions of four amino acid compounds were simulated through the density functional theory (DFT) indexes to study their inhibitive properties. The prototype inhibitors previously synthesized 2-amino-N-decylacetamide (G), 2-amino-N-decylpropionamide (A), 2-amino-N-decyl-3-methylbu…
Four series of ternary compounds $R\mathrm{Pd}\mathrm{Sb}$ $(R=\mathrm{Y},\mathrm{Ho},\mathrm{Er})$, $R\mathrm{Pd}\mathrm{Bi}$ $(R=\mathrm{Nd},\mathrm{Y},\mathrm{Dy},\mathrm{Ho},\mathrm{Er})$, $R{\mathrm{Pd}}_{2}\mathrm{Sb}$ $(R=\mathrm{Y},\mathrm{Gd}\ensuremath{-}\mathrm{Er})$, and $R{\mathrm{Pd}}_{2}\mathrm{Bi}$ $(R…
l -Aspartic and l -glutamic acid-based novel N -propargylamides, ( S )-HC⋮CCH 2 NHCOCH(CH 2 COOcyclohexyl)NHCOO t -Bu ( 1 ) and ( S )-HC⋮CCH 2 NHCOCH(CH 2 CH 2 COOcyclohexyl)NHCOO t -Bu, were synthesized and polymerized using a rhodium catalyst. The corresponding polymers [poly( 1 ) and poly( 2 )] with moderate molecu…
We have implemented a technique for realistic electronic structure calculations of $f$-electron systems with moderately strong correlations. The technique is based on the dynamical mean-field theory with a perturbative treatment of effective quantum impurity problem in a spin-polarized version of the $T$ matrix combin…
An anionic surfactant interacts strongly with a polymer molecule to form a self-assembled structure, due to the attractive force of the hydrophobic association and electrostatic repulsion. In this crystallization medium, the surfactant-stabilized inorganic particles adsorbed on the polymer chains, as well as the bridg…