Resistivity anisotropy and charge density wave in 2H - NbSe2 and 2H - TaSe2

The in-plane and out-of-plane resistivities of both 2H-TaSe₂ and 2H-NbSe₂ were determined down to 10 K. For both compounds, the resistivity anisotropy shows notably a slope change at temperatures where a CDW transition is expected to occur. On the other hand, for both compounds the resistivity anisotropy at the lowest temperature of measurement is much greater than expected by the Lawrence–Doniach model, which relates the critical magnetic field anisotropy to the normal state resistivity anisotropy for 3D-anisotropic superconductors.     

Relative reactivities of amino and ethenyl groups in allylamine on Si(100)2 × 1: Temperature-dependent X-ray photoemission and thermal desorption studies of a common linker molecule

The room-temperature adsorption and thermal evolution of allylamine on Si(100)2 × 1 have been investigated by using temperature-dependent X-ray photoelectron spectroscopy (XPS) and thermal desorption spectrometry (TDS). The presence of a broad N 1 s feature at 398.9 eV, attributed to a N―Si bond, indicates N―H dissociative adsorption. On the other hand, the presence of C 1 s features at 284.6 eV and 286.2 eV, corresponding to C═C and C―N, respectively, and the absence of the Si―C feature expected at 283.2 eV shows that [2 + 2] C═C cycloaddition does not occur at room temperature. These XPS data are consistent with the unidentate staggered and eclipsed allylamine conformer adstructures arising from N―H dissociation and not [2 + 2] C═C cycloaddition. The apparent conversion of the N 1 s feature for Si―N(H)―C

at 398.9 eV to that for Si―N(H) at 397.7 eV and the total depletion of C 1 s feature for C―N at 286.2 eV near 740 K indicates cleavage of the C―N bond, leaving behind a Si―N(H) radical. Furthermore, the C═C C 1 s feature at 284.6 eV undergoes steep intensity reduction between 740 K and 825 K, above which a new C 1 s feature at 283.2 eV corresponding to SiC is found to emerge. These spectral changes suggest total dissociation of the ethenyl fragment and the formation of SiC. Moreover, while the total N 1 s intensity undergoes a minor reduction (24%) upon annealing up to 1090 K, a considerable reduction (43%) is found in the overall C 1 s intensity. This observation is consistent with our TDS data, which shows the desorption of C-containing molecules including propene and ethylene at 580 K and of acetylene at 700 K. The lack of N-containing desorbates suggests that the dissociated N species are likely bonded to multiple surface Si atoms or diffused into the bulk. Interestingly, both the staggered and eclipsed N―H dissociative adstructures are found to have a less negative adsorption energy than the [N, C, C] tridentate or the [2 + 2] C═C cycloaddition adstructures by our DFT calculations, which suggests that the observed formation of N―H dissociative adstructures is kinetically favored on the Si(100)2 × 1 surface.     

Role of propagating modes in a double-groove grating with a +1st-order diffraction angle larger than the substrate-air critical angle

Here we show, analytically and numerically, that in a TiO(2) double-groove grating with two different groove widths per period attached on the SiO(2) substrate, the normally incident light couples to the +1st-order transmission with 96.9% efficiency and with a 50° diffraction angle that is larger than the SiO(2)-air interface critical angle. Modal analysis reveals that three propagating modes for the +1st diffraction order reach the grating back end in phase, while the corresponding propagating modes for the -1st and zeroth orders are added destructively at the grating end. Four optical devices based on this grating characteristic are numerically demonstrated.     

Correlation Between Segmental Dynamics,Glass Transition,and Lithium Ion Conduction in Poly(Methyl Methacrylate)/Ionic Liquid Mixture

A solid-state membrane of a polymer/ionic liquid miscible mixture, poly(methyl methacrylate) (PMMA) and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIMPF₆) doped with lithium perchlorate (LiClO₄), was prepared and characterized. Miscibility, segmental dynamics, glass transition and ionic conductivity were investigated. Based on the results from differential scanning calorimetry (DSC) and dynamic mechanical thermal analysis (DMTA), the system is fully miscible and of single phase. Broadening of the glass transition was observed when increasing the amount of ionic liquid, which can be attributed to mobility and flexibility differences between the polymer and ionic liquid. A large dynamical asymmetry and intrinsic mobility difference allow segmental and structural motion/relaxation over a wider temperature range by increasing the amount of ionic liquid. Saturation recovery spin–lattice relaxation time (T₁) versus temperature obtained from ⁷Li nuclear magnetic resonance (NMR) showed high mobility of lithium ions, which was almost temperature independent. Lithium ion conductivity significantly increases with increasing ionic liquid amount. It is concluded that lithium ion mobility and its conduction is positively correlated to segmental dynamics of ion carriers in this model system, which is more noticeable in mixtures with higher amounts of the ionic liquid.     

Effect of protonation on individual hydrogen bonds in the 8-oxoguanine-cytosine base pair: NMR,NBO and AIM analyses

Protonation increases the total binding energy of the 8-oxoguanine-cytosine (8OG:C) base pair by 60–70% at the B3LYP/6-311++G(d,?p) level of theory. It changes the individual H-bond energies, estimated from electron charge densities at bond critical points, by 1.16 to ?16.41?kcal?mol^?1. The individual H-bond energies and the two bond X–Y spin–spin coupling constants (^2hJ_X–Y) increase with protonation where 8OG behaves as an H-bond donor; the reverse is true for the H-bonds in which the 8OG unit acts as an H-bond acceptor. Similar to ^2hJ_X–Y, the value of ^1hJ_O–H (a one-bond H?···?Y spin–spin coupling constant) is distance dependent and in linear correlation with the O?···?H distance, but the ^1hJ_N–H values are independent of the N–H distance and the PSO term is the predominant portion in it. The ¹J_X–H spin–spin coupling constant is dominated by the negative FC term for all hydrogen bonds, although the PSO term is the best to investigate the behaviour of ¹J_X–H across the X–H?·?Y H-bond.     

Multifrequency NLS Scaling for a Model Equation of Gravity‐Capillary Waves

This paper is the first in a series papers devoted to the study of the rigorous derivation of the nonlinear Schrödinger (NLS) equation as well as other related systems starting from a model coming from the gravity‐capillary water wave system in the long‐wave limit. Our main goal is to understand resonances and their effects on having the nonlinear Schrödinger approximation or modification of it or having other models to describe the limit equation. In this first paper, our goal is not to derive NLS but to allow the presence of an arbitrary sequence of frequencies around which we have a modulation and prove local existence on a uniform time. This yields a new class of large data for which we have a large time of existence. © 2012 Wiley Periodicals, Inc.     

On Semiprime Multiplication Modules over Pullback Rings

We classify all those indecomposable semiprime multiplication modules with finite-dimensional top over pullback of two Dedekind domains. We extend the definition and results given in [9 Ebrahimi Atani , S. , Farzalipour , F. ( 2009 ). Weak multiplication modules over a pullback of Dedekind domains . Colloquium Math. 114 : 99 – 112 .[Crossref] , [Google Scholar]] to a more general semiprime multiplication modules case.     

Tunable zeroth-order resonator based on a ferrite metamaterial structure

This paper proposes a tunable zeroth-order resonator on a composite right/left-handed transmission line consisting of a transversely magnetized ferrite substrate periodically loaded by microstrip inductors. Based on the propagation theory of edge guided modes, the analysis procedure of this structure is introduced. The numerical results demonstrate the tunability of the resonant frequency by changing the DC bias magnetic field applied to the ferrite. In contrast to previous work, the proposed structure is easy to design and fabricate and does not require a chip component.     

Ultrasound assisted the chemoselective 1,1-diacetate protection and deprotection of aldehydes catalyzed by poly(4-vinylpyridinium)hydrogen sulfate salt as a eco-benign,efficient and reusable solid acid catalyst

Poly(4-vinylpyridinium) hydrogen sulfate solid acid was found to be efficient catalyst for preparation of 1,1-diacetate using ultrasound irradiation at ambient temperature and neat condition. Deprotection of the resulting 1,1-diacetates were achieved using the same catalyst in methanol solvent under ultrasound irradiation at room temperature. This new method consistently has the advantage of excellent yields and short reaction times. Utilization of solvent free, simple reaction conditions, isolation, and purification makes this manipulation very interesting from an economic and environmental perspective. Further, the catalyst can be reused and recovered for several times.