Effect of fluoroethylene carbonate (FEC) on the performance and surface chemistry of Si-nanowire Li-ion battery anodes

The effect of FEC as a co-solvent on the electrochemical performance and surface chemistry of silicon nanowire (SiNW) anodes was thoroughly investigated. Enhanced electrochemical performance was observed for SiNW anodes in alkyl carbonates electrolyte solutions containing fluoroethylene carbonate (FEC). Reduced irreversible capacity losses accompanied by enhanced and stable reversible capacities over prolonged cycling were achieved with FEC-containing electrolyte solutions. TEM studies provided evidence for the complete and incomplete lithiation of SiNW's in FEC-containing and FEC-free electrolyte solutions, respectively. Scanning electron microscopy (SEM) results proved the formation of much thinner and compact surface films on SiNW's in FEC-containing solutions. However, thicker surface films were identified for SiNW electrodes cycled in FEC-free solutions. SiNW electrodes develop lower impedance in electrolyte solutions containing FEC in contrast to standard (FEC-free) solutions. The surface chemistry of SiNW electrodes cycled in FEC-modified and standard electrolytes were investigated using X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FTIR) spectroscopy. The impact of FEC as a co-solvent on the electrochemical behavior of SiNW electrodes is discussed herein in light of the spectroscopic and microscopic studies.     

The conformers of 3-fluoroalanine. A theoretical study

Quantum chemical calculations (DFT, SCS-MP2) show that the relative energies of the four principal alanine conformations are only marginally altered by the introduction of a single fluorine substituent into the methyl group. The fluorine gauche effect and attractive interactions of fluorine to the O-H or N-H moieties (formation of hydrogen bridges) do stabilize particular conformers of 3-fluoroalanine. This is true for the neutral molecule both in the gas phase and in aqueous solution (CPCM-model), but also for the zwitterionic forms and the conformers of the related carboxylate ions and also for the respective ammonium ions in aqueous solution. In water (CPCM calculations), the zwitterion is almost equal in energy to the most stable conformer of the neutral 3-fluoroalanine. Compared to alanine the atomic charges of the amino group and the carboxyl function of 3-fluoroalanine are not significantly influenced by the fluorine at C3, which relates to the fact that both experimental pK(a) values are almost equal for alanine and 3-fluoroalanine.     

Generalized convexity and the existence of finite time blow-up solutions for an evolutionary problem

In this paper we study a class of nonlinearities for which a nonlocal parabolic equation with Neumann-Robin boundary conditions, for p-Laplacian, has finite time blow-up solutions.     

Ultrasound and microwave assisted synthesis of isoindolo-1,2-diazine: a comparative study

A comparative study, ultrasound (US) versus microwave (MW) versus conventional thermal heating (TH), for synthesis of isoindolo-1,2-diazine is described. The reaction pathway is fast, efficient and straight applicable, involving a Huisgen [3+2] dipolar cycloaddition of cycloimmonium ylides to 1,4-naphthoquinone. A feasible reaction mechanism for the obtaining of the fully aromatized tetra- and penta- cyclic isoindolo-1,2-diazine is presented. Under US irradiation the yields are much higher (sometimes substantially, by almost double), the reaction time decreases substantially, the reaction conditions are milder. The use of a generator with a higher nominal power induces higher yields and short reaction times. Overall the use of US it proved to be more efficient than MW or TH. A feasible explication for US efficiency is presented.     

A facile synthesis of pyridazinone derivatives under ultrasonic irradiation

A new, efficient and general method for preparation of N-substituted-pyridazinones using ultrasound irradiation is reported. Under ultrasound the reaction time decreases substantially, the yields are high and the reaction conditions are mild. It was noticed that substituents at the 3-(6)-position of pyridazone heterocycle have a substantial influence on the reactivity, while the effect of the substituents at the 1-(2)-position seems to be of minor importance. A comparative study of the reactions performed under ultrasound conditions versus at room temperature has been done.     

Polysilane‐Cycloimmonium Salts: New Materials for Organic Semiconductors

Summary: This work presents the first synthesis of a new polymer obtained by catalytic addition of the Si H groups of a poly[methyl(H)silane‐co‐methylphenylsilane] backbone to an N‐(allyl)cycloimmonium salt. This hybrid polymer was characterized by spectroscopic analysis, thermogravimetric analysis and gel‐permeation chromatography (GPC). The pendant N‐(allyl)cycloimmonium segments lead to the formation of molecular dipoles, as evidenced by electrical polarization experiments.

Structure of the polysilane‐cycloimmonium salt.     

Thermal analysis,microstructure and impurity phases evolution in Fe14Cr ferritic steel powders ball-milled in air and under an argon atmosphere

Journal of Thermal Analysis and Calorimetry - Azobenzenes undergo reversible trans–cis photo-isomerization and have been studied extensively as photo-responsive materials. Despite their...     

Preparation of photocrosslinked sol‐gel composites based on urethane‐acrylic matrix,silsesquioxane sequences,TiO2, and Ag/Au Nanoparticles for use in photocatalytic applications

An acid urethane oligodimethacrylate based on poly(ethylene glycol) was synthesized and used in the preparation of hybrid composites containing silsesquioxane sequences and titania domains formed through sol‐gel reactions along with silver/gold nanoparticles (Ag/Au NPs) in situ photogenerated during the UV‐curing process. The photopolymerization kinetics studied by Fourier transform infrared spectroscopy and photoDSC showed that the photoreactivity of the investigated formulations depends on the amount of titanium butoxide (5–20 wt %) added in the system subjected to UV irradiation. The introduction of 1 wt % AgNO₃/AuBr₃ in formulations slightly improved the degree of conversion but diminished the polymerization rates. The formation of hybrid materials comprising predominantly amorphous TiO₂/SiO₂ NPs, with or without Ag/Au NPs, was confirmed through specific analyses. The evaluation of photocatalytic activity demonstrated that the synthesized hybrid films are suitable for the complete removal of organic pollutants (phenolic compounds) from water under UV irradiation (200–350 min) at low intensity (found in the solar radiation). © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 1189–1204     

Reduction of antimony(V) by dithiophosphinates and the crystal structure of dimeric diphenylantimony(III) dimethyldithiophosphinate

Reactions between three diorganodithiophosphinates and diphenylantimony(V) bromide oxide (SbPh₂OBr)₂, led to antimony reduction while dithiophosphinate oxidation followed a complex path varying in detail with the nature of the organic groups on dithiophosphinate. Antimony(III) dithiophosphinates, SbPh₂(S₂PR₂) where R = Me, Et and Ph, have been isolated and characterised and an X-ray structure determination for the methyl derivative shows weakly associated dimers in the solid state, intermediate between those in (SbPh₂S₂PPh₂)₂ and [Sb(4-MeC₆H₄)₂S₂PEt]₂.     

Topological recursive relations in H2g(ℳg,n)

We show that any degree at least g monomial in descendant or tautological classes vanishes on ℳ _g,n when g≥2. This generalizes a result of Looijenga and proves a version of Getzler’s conjecture. The method we use is the study of the relative Gromov-Witten invariants of ℙ¹ relative to two points combined with the degeneration formulas of [IP1]. Oblatum 24-X-2000 & 14-XI-2001?Published online: 18 February 2002