Search results for "16"
showing 10 items of 8074 documents
Hexakis(diethylacetamide)iron(II) hexahalorhenate(IV) ionic salts: X-ray structures and magnetic properties
2015
Two novel Fe<sup>II</sup>-Re<sup>IV</sup> compounds of general formula [Fe<sup>II</sup>(DEA)<inf>6</inf>][Re<sup>IV</sup>X<inf>6</inf>] where DEA = diethylacetamide and X = Cl (1) and Br (2) have been prepared and magnetostructurally characterised. Complexes 1 and 2 are isomorphic ionic salts that crystallise in the trigonal crystal system with space group R(-3). The rhenium(IV) ion in 1 and 2 is six-coordinate with six chloro (1) or bromo (2) ligands building a regular octahedral chromophore. The Fe<sup>II</sup> ion is also six-coordinate, and bonded to six oxygen atoms from six DEA molecules. [Fe<sup>…
The transition state and cognate concepts
2019
Abstract This review aims firstly to clarify the meanings of key terms and concepts associated with the idea of the transition state, as developed by theoreticians and applied by experimentalist, and secondly to provide an update to the meaning and significance of the transition state in an era when computational simulation, in which complexity is being increasingly incorporated, is commonly employed as a means by which to bridge the realms of theory and experiment. The relationship between the transition state and the potential-energy surface for an elementary reaction is explored, with discussion of the following terms: saddle point, minimum-energy reaction path, reaction coordinate, acti…
Injection and ultrafast regeneration in dye-sensitized solar cells
2014
Injection of an electron from the excited dye molecule to the semiconductor is the initial charge separation step in dye-sensitized solar cells (DSC's). Though the dynamics of the forward injection process has been widely studied, the results reported so far are controversial, especially for complete DSC's. In this work, the electron injection in titanium dioxide (TiO2) films sensitized with ruthenium bipyridyl dyes N3 and N719 was studied both in neat solvent and in a typical iodide/triiodide (I-/I3 -) DSC electrolyte. Transient absorption (TA) spectroscopy was used to monitor both the formation of the oxidized dye and the arrival of injected electrons to the conduction band of TiO2. Emiss…
Extensions and corona decompositions of low-dimensional intrinsic Lipschitz graphs in Heisenberg groups
2020
This note concerns low-dimensional intrinsic Lipschitz graphs, in the sense of Franchi, Serapioni, and Serra Cassano, in the Heisenberg group $\mathbb{H}^n$, $n\in \mathbb{N}$. For $1\leq k\leq n$, we show that every intrinsic $L$-Lipschitz graph over a subset of a $k$-dimensional horizontal subgroup $\mathbb{V}$ of $\mathbb{H}^n$ can be extended to an intrinsic $L'$-Lipschitz graph over the entire subgroup $\mathbb{V}$, where $L'$ depends only on $L$, $k$, and $n$. We further prove that $1$-dimensional intrinsic $1$-Lipschitz graphs in $\mathbb{H}^n$, $n\in \mathbb{N}$, admit corona decompositions by intrinsic Lipschitz graphs with smaller Lipschitz constants. This complements results that…
Removing the saturation assumption in Bank-Weiser error estimator analysis in dimension three
2020
International audience; We provide a new argument proving the reliability of the Bank-Weiser estimator for Lagrange piecewise linear finite elements in both dimension two and three. The extension to dimension three constitutes the main novelty of our study. In addition, we present a numerical comparison of the Bank-Weiser and residual estimators for a three-dimensional test case.
Promotion et Développement d'un Master Erasmus Mundus - L'Exemple du VIBOT
2011
Cet article decrit l’offre de formation a l’internationale proposee au Centre Universitaire Condorcet du Creusot (Universite de Bourgogne) dans le domaine de la vision par ordinateur et de la robotique. Il presente l’organisation particuliere de ces formations et les actions de support mises en place pour en assurer la perennite.
Experimental and numerical investigation on a new FSW based metal to composite joining technique
2018
Abstract In the last decades, different techniques were proposed to join aluminum sheets with composites materials. Each of them has advantages and weak points over the others and new techniques and patents are continuously developed to overcome these difficulties. In this paper an experimental and numerical investigation on a new Friction Stir Welding based approach to mechanically join AA6082-T6 to self-reinforced polypropylene is presented. The aluminum sheet is pre-holed along both the sides of the weld line and a pinless tool generates the heat and pressure needed to prompt back-extrusion of the composite. New experimental fixtures and hole designs were investigated in order to enhance…
Evaluation and Comparison of Novel Precursors for Atomic Layer Deposition of Nb2O5 Thin Films
2012
Atomic layer deposition (ALD) of Nb2O5 thin films was studied using three novel precursors, namely, tBuN═Nb(NEt2)3, tBuN═Nb(NMeEt)3, and tamylN═Nb(OtBu)3. These precursors are liquid at room temperature, present good volatility, and are reactive toward both water and ozone as the oxygen sources. The deposition temperature was varied from 150 to 375 °C. ALD-type saturative growth modes were confirmed at 275 °C for tBuN═Nb(NEt2)3 and tBuN═Nb(NMeEt)3 together with both oxygen sources. Constant growth rate was observed between a temperature regions of 150 and 325 °C. By contrast, amylN═Nb(OtBu)3 exhibited limited thermal stability and thus a saturative growth mode was not achieved. All films we…
Atomic Layer Deposition of Osmium
2011
Growth of osmium thin films and nanoparticles by atomic layer deposition is described. The Os thin films were successfully grown between 325 and 375 °C using osmocene and molecular oxygen as precursors. The films consisted of only Os metal as osmium oxides were not detected in X-ray diffraction measurements. Also the impurity contents of oxygen, carbon, and hydrogen were less than 1 at % each at all deposition temperatures. The long nucleation delay of the Os process facilitates either Os nanoparticle or thin film deposition. However, after the nucleation delay of about 350 cycles the film growth proceeded linearly with increasing number of deposition cycles. Also conformal growth of Os thi…
Steering the excited state dynamics of a photoactive yellow protein chromophore analogue with external electric fields
2014
Abstract The first excited state of the Photoactive Yellow Protein chromophore exhibits a strong charge transfer character and the dipole moments of the excited and ground states differ significantly. Furthermore, the excited state charge distribution changes during the isomerization of this chromophore. These observations suggest that external electric fields can be used to control photo-isomerization, providing a new concept for developing photochromic devices, such as e-paper or optical memory. To test this idea, we performed excited state dynamics simulations and static calculations of a PYP chromophore analogue (pCK − ) in an external electric field. By adjusting direction and strength…