Materials Literature
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We analyze the correlation between crystal and film structures and charge transport of an important organic semiconductor, bis[1,2,5]thiadiazolo-p-quinobis(1,3-dithiole) (BTQBT), and its derivatives 4,8-bis(1,3-dithiol-2-ylidene)-4H,8H-[1,2, 5]selenadiazolo[3,4-f]-2,1,3-benzothiadiazole, 4,8-bis(1,3-diselenol-2-yliden…
Thermal treatment of ethynyl porphyrin monomers on a surface has been found to yield robust porphyrin films. The scope of this in situ polymerization has been surveyed by the synthesis and characterization of a collection of 20 zinc porphyrins bearing diverse patterns of 1−4 ethyne (or protected ethyne) groups and a v…
Carbon forms various nanostructures based on the monatomic chains or strings which show transport properties of fundamental and technological interest. We have carried out first-principles quantum conductance calculations using optimized structures within density functional theory. We treated finite segments of carbon…
Abstract Summary: Three new soluble π ‐conjugated polymers containing 1,3,5‐triazine units in the main chain, Pa–Pc, were synthesized. The polymers showed optical properties in solution that were mainly dependant on the properties of the substituting R groups, on the triazine ring. Hence, Pa and Pb (R = H and OCH 3 ,…
Abstract The evolution of surface composition in polymer blends and interpolymer complexes was studied using X‐ray photoelectron spectroscopy (XPS) and Time‐of‐Flight secondary ion mass spectroscopy (ToF‐SIMS). For immiscible and miscible poly(styrene‐ co‐4 ‐vinyl phenol)/poly(styrene‐ co‐4 ‐vinyl pyridine) (STVPh/STV…
We have performed first-principles calculations on the (001) surface of cubic SrHfO(3) and SrTiO(3) with SrO and BO(2) (B = Ti or Hf) terminations. Surface structure, partial density of states, band structure, and surface energy have been obtained. For the BO(2)-terminated surface, the largest relaxation appears on th…
The mechanisms governing the influence of the solvent composition on the agglomeration in a crystallization process have been investigated. Narrowly sieved paracetamol crystals were suspended in supersaturated acetone−water solutions, and were allowed to grow at isothermal conditions, after which the agglomeration was…
Abstract Alkylation of 5,10,15,20‐tetrakis(3,5‐di‐ tert ‐butyl‐4‐oxo‐2,5‐cyclohexadienylidene)porphyrinogen at its macrocyclic nitrogen atoms results in four multiply N ‐substituted products, which were isolated and characterized. The electrochemical and spectroelectrochemical properties of these compounds were determ…
Abstract We have demonstrated that sol–gel‐derived wurtzite‐type Mg x Zn 1– x O films can exhibit reproducible blue emissions after heat treatments in a reducing atmosphere. Furthermore, the emission colors could be finely tuned by changing the Mg content x and band‐gap values. In contrast, the films showed orange emi…
Abstract Ultrafine polystyrene (PS)/poly(2‐methoxy‐5‐(2′‐ethylhexyloxy)‐1,4‐phenylene vinylene) (MEH‐PPV) fibers were successfully prepared by electrospinning of PS/MEH‐PPV solutions in chloroform, 1,2‐dichloroethane, and tetrahydrofuran (THF). Three concentrations of the solutions were prepared: 8.5, 16, and 23.5% (w…
Abstract The properties of polypropylene composites can be tailored through the use of nanoclay fillers. The effectiveness of a metallocene‐catalyzed hydroxyl‐functional polypropylene in the compatibilization of polypropylene layered nanosilicate composites was studied, and the results were compared with those for a c…
Abstract Summary: Reversible pH‐induced swelling of (PAH/PSS) polyelectrolyte microcapsules is accompanied by increased porosity, making them permeable to poly(acrylic acid) (PAA) at pH values higher than 11.2. This pH‐switchable permeability was used to encapsulate the polyanion in alkaline conditions. Relationship b…
In view of the increasing importance of highly efficient light-emitting materials in chemistry, biological science, and materials science, we investigated the light-emitting efficiency tuning of rod-shaped oligo(p-phenylene ethynylene)s (OPEs, trimeric to pentameric systems) by donor and acceptor groups, so that they…
Abstract Summary: For the convenient synthesis of well‐defined poly( N ‐octyl‐ p ‐benzamide)s with low polydispersities, the polycondensation of methyl 4‐octylaminobenzoate ( 1 ) was investigated. Methyl ester monomer 1 polymerized with lithium 1,1,1,3,3,3‐hexamethyldisilazide (LHMDS) in the presence of an initiator i…
The adsorption of 1-hexanol and 1-butanol from water on the organically modified layered silicates, derived from magadiite by silylation with octyltrichlorosilane, was investigated. The degree of the interlamellar surface coverage of magadiite with octylsilyl groups affected the adsorptive properties. The modified mag…
Electronic and structural properties of substitutional group-V donors (N, P, As, Sb) and group-III acceptors (B, Al, Ga, In) in silicon nanocrystals with hydrogen passivation are explored using first-principles calculations based on hybrid density functional theory with complete geometrical optimization. The bonding n…
This paper describes a new approach for the preparation of polyamic acid (PAA) composites containing Ag and Au nanoparticles. The composite film of PAA and metal particles were obtained upon electrodeposition of a PAA solution containing gold or silver salts with subsequent thermal treatment, while imidization to poly…
In this study, the effect of soft segment chemistry on the phase morphology and in vivo response of commercial-grade poly(ether urethane) (PEU), silicone-modified PEU (PEU-S), poly(carbonate urethane) (PCU), and silicone-modified PCU (PCU-S) elastomers were examined. Silicone-modified polyurethanes were developed to c…
We show that alpha-Fe2O3- and Fe3O4-pillared graphites can be prepared by pillaring graphite oxide with trinuclear iron acetato complex ion and calcining it in air and in vacuo, respectively. A pillared graphite structure is confirmed by transmission electron microscopy observations. The adsorption isotherms of water…
The stability and the formation and dissolution kinetics of mixed trace metal precipitates in soils are currently unknown. The objective of this study was to investigate slow sorption and release processes of Zn and Ni in a loamy soil using a combination of soil column experiments and extended X-ray absorption fine st…