Materials Literature
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A novel nitrogen-rich energetic compound 4-amino-1,2,4-triazole dinitroguanidine salt (4-ATDNG) was synthesized and fully characterized. Its crystal, thermal behaviour, and detonation properties were investigated by X-ray diffraction, thermogravimetry-derivative thermogravimetry-differential scanning calorimetry (TG-D…
Abstract The growth of surface‐immobilized gold nanoparticles with organometallic (OM)CVD on amine‐terminated surfaces, utilizing a (trimethylphospine)methylgold ((CH3)3PAuCH3) precursor is described. Samples fabricated using various deposition times are characterized by UV‐vis spectroscopy and scanning electron micro…
Abstract Zinc methyl bacteriopheophorbide-d possessing a 1-hydroxyethyl group at the 3-position self-aggregated in an aqueous Triton X-100 solution to afford a red-shifted Qy band, but the substitution of hydroxy and acetoxy groups at its 32-position completely disturbed their self-aggregation. Their neighboring group…
The reactivity of metal nanoclusters can vary significantly as a function of the valence electronic configuration of the cluster. Hydrogen adsorption provides a simple probe to investigate variations in reactivity of nanoclusters and identify factors that contribute to regioselectivity of interactions. In this study d…
Nanoscale morphology has been proved to be the key parameter deciding the exciton dissociation and charge transportation in bulk heterojunction (BHJ) solar cells. In this paper, we report a kind of small molecular organic photovoltaic cell (OPV) with a vertically ordered BHJ prepared by the weak epitaxial growth metho…
Two consecutive i, i+4 intramolecular, side chain-to-side chain, macrocyclizations of different type carried out on a preformed, partially helical peptide result in a largely predominant, double stapled, overlapping, bicyclic [31,22,5]-(E)ene motif. A detailed ECD and NMR conformational study revealed a significant en…
Geodesic acoustic mode (GAM) and low-frequency zonal flow (LFZF) are both observed through Langmuir probe arrays during electron cyclotron resonance heating (ECRH) on the HL-2A tokamak edge. The radial distributions of the amplitude and peak frequency of GAM in floating potential fluctuations are investigated through…
Adsorption of polymers from dilute solution subject to shear flow near a planar wall is studied using kinetic theory. A dumbbell model consisting of two beads connected by a nonlinear spring is used to describe the polymer molecules, and the beads interact with the wall via a short-range exponential potential. Bead-be…
The present contribution analyzes the special bonding situation of the [FAAF](-) anions (A = O, S, Se, Te), where the addition on an extra charge turns the covalent A-A bond of the neutral into a charge-shift (CS) bond. By means of theoretical calculations, we demonstrate that electrostatic interactions produced by ne…
The performance of a new methanol fuel cell that utilizes a liquid formic acid electrolyte, named the formic acid electrolyte-direct methanol fuel cell (FAE-DMFC) is experimentally investigated. This fuel cell type has the capability of recycling/washing away methanol, without the need of methanol-electrolyte separati…
BACKGROUND: Belt or wire shaped TiO2(B) particles were synthesized for lithium ion battery application by a hydrothermal and heat treatment process. In order to facilitate TiO2(B)/C composites fabrication, the synthesized TiO2(B) particles were crushed into smaller sizes by ball milling. RESULTS: Ball mill treated TiO…
The modulation of Fano resonance by nanoparticle shape in ordered arrays is studied. The variation of the particle plasmon resonance mode changes the interference with the photonic modes of the particle in array that consequently shifts the Fano resonance mode. The elongation of the nanodiscs in arrays allowed modulat…
Abstract The influence of dimethyl hydantoin (DMH) on the mechanical properties of GAP/RDX propellant was studied by molecular dynamics (MD) and dissipative particle dynamics (DPD) simulation. The results showed that the binding energies (Ebinding) between GAP and different surfaces of RDX were in the order of (010)>(…
Well-crystallized Rh x S y /C nanospheres synthesized in ethanol showed comparable electrocatalytic activity with Pt/C after 24 cycles, and outperformed Pt/C in stability for HCl electrolysis.
The solid-liquid coexistence of a Lennard-Jones fluid confined in slit pores of variable pore size, H, is studied using molecular dynamics simulations. Three-stage pseudo-supercritical transformation path of Grochola [J. Chem. Phys. 120(5), 2122 (2004)] and multiple histogram reweighting are employed for the confined…
In this research work, short glass fiber has been used to fabricate polyester-based homogeneous composites and their functionally graded material. Vertical centrifugal casting technique and simple mechanical stirring is used for fabricating functionally graded materials and homogeneous composites, respectytively. Wear…
Tracing the evolution of the bulk heterojunction structure, a dramatic promotion in the efficiency of polymer solar cells has been obtained in recent years. The active layer morphology of low-bandgap polymer solar cells is one of the critical factors for high-efficiency performance. In the past, the relationship betwe…
CONTEXT: Breast cancer accounts for 23% of all newly occurring cancers in women worldwide and represents 13.7% of all cancer deaths. Available chemotherapeutic agents are limited largely due to the low accumulation of chemotherapeutics at the tumors relative to their accumulation at normal (healthy) organs due to deve…
In this work, chloroboron (III) subnaphthalocyanine (SubNc) was used as an electron donor, combined with a [6,6]-phenyl-C71-butyric acid methyl ester (PC70BM) or fullerene C70 acceptor in bulk heterojunction photovoltaic cells. In spite of the limited solubility of SubNc in organic solvents, the solution processed dev…
We use density functional theory calculations to characterize the electronic and structural properties of the Tl and Na dopant centers in CsI. We find that the Tl and Na centers can accept one or two electrons and couple to long-range relaxations in the surrounding crystal lattice to distort strongly off-center to mul…