Materials Literature
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We have studied the photoinduced transformation of small rings (3-membered) in amorphous silica by Car-Parrinello simulations. The process of ring opening leading to the formation of a couple of paramagnetic centers, namely an E' and a non-bridging-oxygen hole center (NBOHC), has been proposed experimentally to occur…
Based on a recent exchange--correlation kernel developed within Time--Dependent--Density--Functional Theory we derive a practical and general expression for the three--point vertex function. We show that excitonic effects in LiF strongly modifies the low--energy electron linewidths leading to linear scaling with quasi…
A combined experimental and theoretical investigation of the role of proton delivery in determining O2 reduction pathways catalyzed by cofacial bisporphyrins is presented. A homologous family of dicobalt(II) Pacman porphyrins anchored by xanthene [Co2(DPX) (1) and Co2(DPXM) (3)] and dibenzofuran [Co2(DPD) (2) and Co2(…
Red glow in daylight …︁ chemist's delight! An efficient transfer of excitation energy from the ligand to the luminescent states of the coordinated EuIII ion in 1 occurs from the singlet excited state of the ligand. The complex shows characteristic bright red Eu-centered emission with a quantum yield of 0.52 when sensi…
We report the synthesis of colloidal Mn(2+)-doped ZnO (Mn(2+):ZnO) quantum dots and the preparation of room-temperature ferromagnetic nanocrystalline thin films. Mn(2+):ZnO nanocrystals were prepared by a hydrolysis and condensation reaction in DMSO under atmospheric conditions. Synthesis was monitored by electronic a…
Composite materials composed of polymers blended with reinforcing fillers play a major role in various technologies. An important example, commercial rubber, incorporates carbon black fillers, which significantly enhance mechanical properties such as Young's modulus and ultimate strength. The carbon black fillers cons…
Two innovative anthracene bisimides were synthesized and their chemosensory behavior was evaluated. Under neutral or basic conditions, the luminescence of ABI−NH2 was nearly completely quenched via efficient intramolecular photoinduced electron transfer (PET). When exposed to acid or acid halides, the luminescence was…
Broadband dielectric spectroscopy (10 -2 −10 9 Hz) and temperature-modulated differential scanning calorimetry have been performed to study the molecular dynamics of monomer, dimer, and trimer of propylene glycol mono methyl ether (PGME) confined in a two-dimensional layer-structured Na-vermiculite clay. A slight spee…
Amphiphilic diblock copolymers with various block compositions were synthesized with monomethoxy-terminated poly(ethylene glycol) (MePEG) as the hydrophilic block and poly(5-benzyloxy-trimethylene carbonate) (PBTMC) as the hydrophobic block. When the copolymerization was conducted using MePEG as a macroinitiator and s…
Catalytic wet oxidation of phenol solutions at low temperatures of 80−130 °C and space velocities of 1−100 h -1 using Mn−Ce catalysts was studied with an emphasis on the reactive adsorption mechanism and total organic carbon (TOC) removal. Eight catalysts (Mn/Ce = 6:4) were activated under different conditions and pro…
In this work, the omega-amine alkanethiols, cysteamine (CA) and 11-amino-1-undecanethiol (11-AUT), were chemisorbed as self-assembled monolayers (SAMs) onto 250-microm gold microelectrodes that were microlithographically fabricated within eight-well cell culture plates and investigated as a means to improve neuron-to-…
A spin model that displays inverse melting and inverse glass transition is presented and analyzed. Strong degeneracy of the interacting states of an individual spin leads to entropic preference of the "ferromagnetic" phase, while lower energy associated with the noninteracting states yields a "paramagnetic" phase as t…
Strategies for single-walled carbon nanotube (SWNT) separation are critical to developing nanotubes as useful nanoscale building blocks. Herein, we demonstrate that solution-phase ozonolysis of SWNTs fosters diameter selectivity in SWNTs. The main conclusion of our work is that in this sidewall addition reaction, smal…
Abstract The surpassing of the solubility product of the anhydrous forms of calcium carbonate—calcite, aragonite, and vaterite—is not sufficient to induce spontaneous precipitation. The existence of a metastable zone, in the nucleation of the calcium carbonate, is still an experimental phenomenon. A thermodynamic dema…
The paper reports the enhanced photoluminescence of trivalent europium (Eu 3+ ) ions in the vicinity of nanometer-sized metal particles in glasses. In this study, gold (Au) colloids synthesized in solution were introduced into a borosilicate (B 2 O 3 −SiO 2 ) glass matrix together with Eu 3+ ions via a sol−gel route.…
The ZrO2-TiO2 phase diagram was studied with synthesis experiments between 1200°C and 1650°C, 1 atm and 28 kbar, investigating the effect of pressure on the compositions of rutile [TiO2], zirconia [ZrO2] , and zirconium titanate [(Zr,Ti)2O4) solid solut
The paper presents a detailed experimental and theoretical study of the four mixed nickel-bisdithiolene complexes [Ni(Pr(i)(2)pipdt)(dmit)] (1b, Pr(i)(2)pipdt = 1,4-diisopropyl-piperazine-3,2-dithione; dmit = 1,3-dithiolo-2-tione-4,5-dithiolato), [Ni(R(2)pipdt)(mnt)] (2b", R = 2-ethylhexyl; mnt = maleonitriledithiolat…
In this paper we present a new synthesis for N -alkylated 2,7-dibromocarbazoles, from which 2,7-linked carbazole trimers have been synthesized by Suzuki cross coupling. The compounds were characterized regarding their thermal, optical, and electrochemical properties and compared to analogous fluorene trimers, which al…
Theoretical calculations of electron energy-loss near-edge structure (ELNES) and x-ray absorption near-edge structure (XANES) of selected wide-gap materials including ${\text{TiO}}_{2}$, AlN, GaN, InN, ZnO, and their polymorphs are performed using a first-principles method. Calculations of 39 $K$ and ${L}_{3}({L}_{2,3…
Polyelectrolyte multilayers with alternating porous and fully dense regions have been assembled from poly(acrylic acid) (PAA), poly(allylamine hydrochloride) (PAH), and poly(sodium 4-styrenesulfonate) (SPS) in appropriate combinations. The porous zones were developed postassembly via immersion of the heterostructure f…