Thermal States in Conformal QFT. I

We analyze the set of locally normal KMS states w.r.t. the translation group for a local conformal net A{{\mathcal A}} of von Neumann algebras on \mathbb R{\mathbb R} . In this first part, we focus on the completely rational net A{{\mathcal A}} . Our main result here states that, if A{{\mathcal{A}}} is completely rational, there exists exactly one locally normal KMS state j{\varphi} . Moreover, j{\varphi} is canonically constructed by a geometric procedure. A crucial r?le is played by the analysis of the “thermal completion net” associated with a locally normal KMS state. A similar uniqueness result holds for KMS states of two-dimensional local conformal nets w.r.t. the time-translation one-parameter group.     

SnO<Subscript>2</Subscript> nanocrystals synthesized by microwave-assisted hydrothermal method: towards a relationship between structural and optical properties

The exploration of novel synthetic methodologies that control both size and shape of functional nanostructure opens new avenues for the functional application of nanomaterials. Here, we report a new and versatile approach to synthesize SnO₂ nanocrystals (rutile-type structure) using microwave-assisted hydrothermal method. Broad peaks in the X-ray diffraction spectra indicate the nanosized nature of the samples which were indexed as a pure cassiterite tetragonal phase. Chemically and physically adsorbed water was estimated by TGA data and FT-Raman spectra to account for a new broad peak around 560 cm⁻¹ which is related to defective surface modes. In addition, the spherical-like morphology and low dispersed distribution size around 3–5 nm were investigated by HR-TEM and FE-SEM microscopies. Room temperature PL emission presents two broad bands at 438 and 764 nm, indicating the existence of different recombination centers. When the size of the nanospheres decreases, the relative intensity of 513 nm emission increases and the 393 nm one decreases. UV–Visible spectra show substantial changes in the optical absorbance of crystalline SnO₂ nanoparticles while the existence of a small tail points out the presence of localized levels inside the forbidden band gap and supplies the necessary condition for the PL emission.     

Eco-friendly Synthesis of Silver Nanoparticles and its Application in Hydrogen Photogeneration and Nanoplasmonic Biosensing

Environmentally friendly methods for silver nanoparticles (AgNPs) synthesis without the use of hazardous chemicals have recently drawn attention. In this work, AgNPs have been synthesized by microwave irradiation using only honey solutions or aqueous fresh pink radish extracts. The concentrations of honey, radish extract, AgNO₃ and pH were varied. AgNPs presented mean sizes between 7.0 and 12.8 nm and were stable up to 120 days. The AgNPs were employed as co-catalyst (TiO₂@AgNPs) to increase the hydrogen photogeneration under UV-vis and only visible light irradiation, when compared to pristine TiO₂ NPs. The prepared photocatalyst also showed hydrogen generation under visible light. Additionally, AgNPs were used to assemble a nanoplasmonic biosensor for the biodetection of extremely low concentrations of streptavidin, owing to its specific binding to biotin. It is shown here that green AgNPs are versatile nanomaterials, thus being potential candidates for hydrogen photogeneration and biosensing applications.     

C2‐Symmetric Zirconocenes in the Polymerization of Conjugated Diolefins

C₂‐symmetric zirconocenes activated by methylaluminoxane were utilized as catalysts in the polymerization of 1,3‐diolefins. The results indicate that the most crowded catalytic precursor rac[CH₂(3‐tert‐butyl‐1‐indenyl)₂]ZrCl₂ ( 1 ) is also the most active one, giving 1,4‐polymerization of 1,3‐butadiene and (Z)‐1,3‐pentadiene and 1,2‐polymerization of (E)‐1,3‐pentadiene and 4‐methyl‐1,3‐pentadiene. Probably, the different behavior of 1 with respect to other C₂‐symmetric zirconocenes utilized is due to the different stability of the bond between the last inserted monomer unit and the metal, as well as to the coordination of incoming monomer.     

Molecular dynamics simulation of semirigid polymers

The chain rigidity of poly(p-hydroxybenzoate) was estimated through the theoretical evaluation of its persistence length (L_p). A non-Brownian molecular dynamics (MD) simulation of an isolated chain with 20 monomeric units was performed. The sampled conformational population was analyzed and the orientational correlation function between monomeric units along the chain was calculated. An algorithm based on the worm-like chain model was applied to evaluate the persistence length. The results were compared with those obtained from equilibrium models like the freely-rotating-chain and the rotational-matrix method with fluctuations. Equilibrium models give different results depending on the degree of accuracy used in describing the monomeric unit. The inclusion of thermal fluctuations is crucial to obtain realistic results. These coincide with those given by MD simulation when only nearest-neighbour orientational correlations are taken into account: inclusion of higher-order correlation terms leads to lower values of the persistence length. The origin of this discrepancy was investigated. The MD simulation results are characterized by an overrepresentation of conformations with a short end-to-end distance resulting from an anomalous energy concentration in the first bending mode of the chain. In analogy with previous simulation results from systems characterized by a week coupling amoung their degrees of freedom, failure in the energy equipartition is proposed as a likely explanation of the anomalous dynamical behaviour.     

New Ni(II) based catalysts active in the polymerization of olefins

Polymerization of ethylene in the presence of Cp₂Ni (Cp: cyclopentadienyl) and methylaluminoxane affords polyethylene of high molecular weight and with high melting point. The same catalyst is active in the polymerization of styrene and 1,3-butadiene to give partially isotactic polystyrene and 1,4-cis-polybutadiene, respectively.