Materials Literature
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The science of molecule-based materials is an exciting subject in light of its fundamental scientific interest and potential applications. Considerable efforts are now being invested in developing strategies for the design and preparation of new materials involving an interplay or synergy between electrical conductivi…
La 0.8 Sr 0.2 MnO 3 cubes and nanoparticles were prepared by hydrothermal and citrate methods, respectively. Their cataluminescence (CTL) properties and catalytic reaction activities for CO were mainly investigated. The samples were characterized by XRD, SEM, TEM, LRS, BET, CO-TPD, O 2 -TPD, and H 2 -TPR, etc. It was…
Multiferroic composite ceramics of (1 − x )[0.94Bi 0.5 Na 0.5 TiO 3 –0.06BaTiO 3 ]– x CoFe 2 O 4 (BBNTO–CFO x ), x = 0.1, 0.2, 0.3, 0.4, 0.5, have been prepared and their structure, magnetoelectric (ME) effect, magnetic and ferroelectric properties have been investigated. x-ray diffraction and scanning electron micros…
New materials made of two- and three-dimensional superlattices of nanoparticles exhibit unique collective properties arising from the ordering of the nanoparticles. Here, dodecanethiol-coated silver nanocrystals self-assembled in 2D were subjected to oxygen plasma using the reactive ion etching process. The careful in…
Molecular dynamics (MD) simulation of calcite was carried out with the interatomic potential model based on ab initio calculations to elucidate the phase relations for calcite polymorphs and the mechanism of the rotational order-disorder transition of calcite at high temperature at the atomic scale. From runs of MD ca…
We report a simple, one-pot process for hydroxyl-functionalized gold nanocrystals with precise morphology control by a surface regulating copolymer. The copolymer, poly(vinyl pyrrolidone- ran -vinyl acetate) (PVP-PVAc), has two distinct moieties including pyrrolidone for nanoparticle formation and acetate for addition…
Here we find through computer simulations and theoretical analysis that the low temperature thermodynamic anomalies of liquid water arises from the intermittent fluctuation between its high density and low density forms, consisting largely of 5-coordinated and 4-coordinated water molecules, respectively. The fluctuati…
Thermochemical analyses of gaseous equilibrium data involving the species TiCl, TiCl(2), and TiCl(3) were revised with the aid of more recent information on the low-lying electronic states, yielding more reliable values for the enthalpies of formation, Delta(f)H(o)(298), of 40.9, -49.0, and -121.5 kcal mol(-1), all +/…
Conventional drying of the fibers from oil palm empty fruit bunches (EFB) using flue gas from diesel burners frequently causes browning and dust explosion. Replacing the drying medium with superheated steam is expected to improve the quality of EFB fibers as well as improve the safety of the dryer operation. In this s…
We report here the use of micrometer-sized silver (microAg) powders to enhance the fluorescence emission of rhodamine B isothiocyanate (RhBITC). Our findings clearly show that the RhBITC displays up to a 36-fold increase in fluorescence emission intensity when RhBITC-labeled poly(allylamine hydrochloride) (RhBITC-PAH)…
Two series of thiol-modified poly(ethoxyethyl glycidyl ether) with different chain-end groups and molecular weights (PT-PEEGE-SH and Bu-PEEGE-SH), which undergo lower critical solution temperature (LCST)-type phase separation in an aqueous milieu, are grafted onto gold substrates through Au-S bonding. The water wettab…
We show that the relative stability of the nematic tetratic phase with respect to the usual uniaxial nematic phase can be greatly enhanced by clustering effects. Two-dimensional rectangles of aspect ratio kappa interacting via hard interactions are considered, and the stability of the two nematic phases (uniaxial and…
Second-harmonic generation spectra for a wide range of carbon nanotubes are computed within a nonorthogonal tight-binding approach. It is demonstrated that a broken $\ensuremath{\pi}\ensuremath{-}{\ensuremath{\pi}}^{\ensuremath{\ast}}$ symmetry is a prerequisite for a nonvanishing nonlinear response. We study the diam…
An Nd 0.5 Ca 0.5 MnO 3 (NCMO) sample (average diameter ∼45 nm) is synthesized by the sol–gel method. The temperature dependence of magnetization indicates that the charge order state is suppressed and a ferromagnetic (FM) transition occurs at ∼100 K. In addition, the magnetic hysteresis loop at 10 K under a cooling fi…
Resonant inelastic x-ray scattering (RIXS), x-ray absorption spectroscopy and x-ray excited optical luminescence (XEOL) have been used to measure element specific filled and empty electronic states over the Si L(2,3) edge of passivated Si nanocrystals of narrow size distribution (diameter 2.2 ± 0.4 nm). These techniqu…
This review reports a systematic investigation, carried out on the Cambridge Crystallographic Database (CSD), on the structural features of iminoalkyl-phenols (or naphthols) as well as azo-phenols (or naphthols). All these compounds form N-H … O/O-H … N intramolecular hydrogen bonds assisted by resonance (RAHB) in tau…
()Pb(Fe0.5Nb0.5)O3-xPb(Zr0.2Ti0.8)O3 (PFN-PZT, x = 0.75, 0.80, 0.85) ferroelectric ceramics were prepared by conventional solid-state reaction method via the wolframite precursor route. XRD measurements confirmed that the synthesized PFN-PZT ceramics are of pure tetragonal perovskite structure. With the increase of Pb…
Utilization of recycled polypropylene obtained from post-consumer products and fly ash particles, obtained as a by-product from thermal power plants, has environmental as well as economical benefits for society. A valuable addition can be made to these waste materials by converting them into composite materials. In th…
The results of parallel kinetic Monte Carlo (KMC) simulations of the room-temperature coarsening of Ag(111) islands carried out using a very large database obtained via self-learning KMC simulations are presented. Our results indicate that, while cluster diffusion and coalescence play an important role for small clust…
We studied the radial collapse of single-walled carbon nanotubes (CNTs) on the Cu 2 O surface using molecular dynamic simulations. When the diameter of CNTs exceeds a threshold, the CNTs approach the Cu 2 O surface and collapse spontaneously by the van der Waals force between the CNTs and the Cu 2 O surface. Because t…