Search results for "transition"
showing 10 items of 3988 documents
Influence of the preparative route on the properties of WOx–ZrO2 catalysts: A detailed structural, spectroscopic, and catalytic study
2007
Abstract Two series of tungstated zirconia (WZ) solid acids covering a wide range of tungsten surface densities ( δ, W at/nm2 ) were prepared by nonconventional impregnation and coprecipitation routes, leading to samples with enhanced surface area ( ∼ 70 – 120 m 2 / g ) on annealing at 973–1073 K. The materials were thoroughly characterized by N2 physisorption , XRD, Raman, XPS, H 2-TPR, and DR UV–vis spectroscopy. The catalytic behavior of the Pt-promoted WZ catalysts (1 wt% Pt) was evaluated for the hydroconversion of n-hexadecane used as model feed representative of Fischer–Tropsch waxes. Both series of catalysts displayed a pronounced maximum in the reaction rate and a minimum in the se…
Understanding the effects of Covid-19 through a life course lens
2020
Available online 22 July 2020. Other co-authors: ANTONUCCI, T. C., DYKSTRA, P. A., HECKHAUSEN, J., KUH, D., MAYER, K. U., MOEN, P., MORTIMER, J. T., MULDER, C. H., SMEEDING, T. M., VAN DER LIPPE, T., HAGESTAD, G. O., KOHLI, Martin, LEVY, R., SCHOON, I., & THOMSON, E. The Covid-19 pandemic is shaking fundamental assumptions about the human life course in societies around the world. In this essay, we draw on our collective expertise to illustrate how a life course perspective can make critical contributions to understanding the pandemic’s effects on individuals, families, and populations. We explore the pandemic’s implications for the organization and experience of life transitions and trajec…
Connectivity Influences on Nonlinear Dynamics in Weakly-Synchronized Networks: Insights from Rössler Systems, Electronic Chaotic Oscillators, Model a…
2019
Natural and engineered networks, such as interconnected neurons, ecological and social networks, coupled oscillators, wireless terminals and power loads, are characterized by an appreciable heterogeneity in the local connectivity around each node. For instance, in both elementary structures such as stars and complex graphs having scale-free topology, a minority of elements are linked to the rest of the network disproportionately strongly. While the effect of the arrangement of structural connections on the emergent synchronization pattern has been studied extensively, considerably less is known about its influence on the temporal dynamics unfolding within each node. Here, we present a compr…
Transition-Metal-Free Decarboxylative Photoredox Coupling of Carboxylic Acids and Alcohols with Aromatic Nitriles.
2016
A transition-metal-free protocol for the redox-neutral light-induced decarboxylative coupling of carboxylic acids with (hetero)aromatic nitriles at ambient temperature is presented. A broad scope of acids and nitriles is accepted, and alcohols can be coupled in a similar fashion through their oxalate half esters. Various inexpensive sources of UV light and even sunlight can be used to achieve this C–C bond formation proceeding through a free radical mechanism.
ChemInform Abstract: Transition-Metal-Free Decarboxylative Photoredox Coupling of Carboxylic Acids and Alcohols with Aromatic Nitriles.
2016
A transition-metal-free protocol for the redox-neutral light-induced decarboxylative coupling of carboxylic acids with (hetero)aromatic nitriles at ambient temperature is presented. A broad scope of acids and nitriles is accepted, and alcohols can be coupled in a similar fashion through their oxalate half esters. Various inexpensive sources of UV light and even sunlight can be used to achieve this C–C bond formation proceeding through a free radical mechanism.
Evaluation of the Strength of Coupling Between a Vibrational Exciton and a Specific Low Frequency Mode
1993
In Davydov’s theory, one dimensional sub-systems within molecular crystals may exhibit self-trapping of some high frequency phonons as these travel by dipole resonance interaction, due to coupling to some specific soft oscillation mode1
Spin-orbit coupling constants from coupled-cluster response theory
2000
A scheme for the calculation of spin-orbit coupling constants using coupled-cluster (CC) electronic structure methods is described based on response-theory expressions for transition properties. An implementation is reported for singlet–triplet transitions within the coupled-cluster singles and doubles (CCSD) approximation. An atomic mean-field representation of the spin-orbit interaction is used to simplify the calculation of spin-orbit coupling constants. Sample calculations are presented for spin-orbit couplings for the 11Σ+→13Π transitions for BH and AlH and for the 11A′→13A″ and the 13A″→11A″ transitions for the silylenes HSiX, X=F, Cl, Br, and are compared to results obtained from ful…
Modified mode-coupling theory for the collective dynamics of simple liquids
2011
Recently it has been shown that mode-coupling theory, which accounts for the salient features of glassy relaxation near the liquid–glass transition, is also capable of describing the collective excitations of simple liquids away from the glass transition. In order to further improve the agreement between theory and computer simulations on Lennard-Jones argon we modify MCT by taking binary collisions into account. This, in fact, improves the agreement. We also show that multiplying the memory function of the original theory with a reduction factor leads to similar results.
Lateral indirect exchange coupling in a two-dimensional nanostripe array
2002
We observe a lateral indirect exchange coupling in a multistripe system of parallel Fe nanostripes grown by self-organized growth on a vicinal single-crystal W(110) surface. The width and the distance between the stripes of monolayer height were modified via the total amount of deposited Fe. The easy axis of the magnetization lies perpendicular to the stripe edges and in the surface plane, thus resulting in a ferromagnetic dipolar coupling. In addition to the dipolar coupling we observe an antiferromagnetic indirect exchange coupling for the nanostripe system covered by Au. The coupling causes a superferromagnetic phase transition in the nanostripe array.
WS2/MoS2 Heterostructures via Thermal Treatment of MoS2 Layers Electrostatically Functionalized with W3S4 Molecular Clusters
2020
The preparation of 2D stacked layers that combine flakes of different nature, gives rise to countless number of heterostructures where new band alignments, defined at the interfaces, control the electronic properties of the system. Among the large family of 2D/2D heterostructures, the one formed by the combination of the most common semiconducting transition metal dichalcogenides WS2/MoS2, has awaken great interest due to its photovoltaic and photoelectrochemical properties. Solution as well as dry physical methods have been developed to optimize the synthesis of these heterostructures. Here a suspension of negatively charged MoS2 flakes is mixed with a methanolic solution of a cationic W3S…