Search results for " function"
showing 10 items of 9395 documents
A Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films
2018
Oxide films play a significant role in a wide range of fields from catalysis to solar cell materials. CaO films are promising sorbents for many environmentally harmful molecules. Here, we report a systematic investigation of adsorption of CO2, SO2, and H2CO on bulk and Mo-supported CaO(100) films using density functional theory. Significant effects on adsorption energy, charge transfer to the molecules, and degree of the C–O bond activation were demonstrated on Mo-supported CaO films by changing the film thickness, composition, and the strength and direction of an applied external electric field. These findings are relevant for interpreting results from scanning tunneling microscopy of smal…
Influence of a Cu–zirconia interface structure on CO2 adsorption and activation
2021
CO2 adsorption and activation on a catalyst are key elementary steps for CO2 conversion to various valuable products. In the present computational study, we screened different Cu–ZrO2 interface structures and analyzed the influence of the interface structure on CO2 binding strength using density functional theory calculations. Our results demonstrate that a Cu nanorod favors one position on both tetragonal and monoclinic ZrO2 surfaces, where the bottom Cu atoms are placed close to the lattice oxygens. In agreement with previous calculations, we find that CO2 prefers a bent bidentate configuration at the Cu–ZrO2 interface and the molecule is clearly activated being negatively charged. Strain…
Modélisation des objets historiques selon la fonction, l'espace et le temps pour l'étude des dynamiques urbaines dans la longue durée
2010
The proposed principle for understanding the urban fabric is based on considering the town as a set of complex objects, taking a systemic approach. The town system used to study the urban fabric over large time spans is composed of three sub-systems relating to historical objects from the level of the excavation to that of the former urban space: function (social use), space (location, surface area and morphology) and time (dating, duration and chronology). The historical object is the analytical unit of the space studied. The purposed model allows urban changes to be observed. The originality of this procedure lies in its approach whereby it is possible to start not from the mapping of a p…
MICROFLUIDIC PROCEDURE FOR FABRICATION OF HYALURONIC ACID BASED BIOMATERIALS
2017
ReO as a Brønsted acidic modifier in glycerol hydrodeoxygenation : Computational insight into the balance between acid and metal catalysis
2023
A computational study for the competitive conversion of glycerol to 1,2-propanediol and 1,3-propanediol is presented, considering a two-step sequence of dehydration followed by hydrogenation. The elementary steps for dehydration, i.e., breaking of C–H followed by C–OH or vice versa, were studied computationally both on the Rh metal surface and the acid-modified ReOH–Rh surface in order to understand the role of the acid promoter. While the acid modifier can catalyze the C–OH cleavage, the activation energy for the C–H cleavage was found to be considerably smaller on both pure and acid-doped Rh(111) surfaces, and breaking the secondary C–H bond is kinetically favored over breaking the termin…
Spatiocolorimetric neighborhood hypergraph and Image Processing Applications : Noise Removal and Edge Detection.
2004
In this document, we are interested in image modeling by the means of the hypergraph theory. Our contribution is essentially centered on the determination of the properties resulting from this theory and on the analysis from their adequacy with image problems, particularly edge and noise detection.First, we study the image spatiocolorimetric neighborhood hypergraph representation. Three representations are respectively presented incorporating global properties, local properties and similarity functions. Then, we use the hypergraph properties generated by the representation in order to define the structural models of noise and edge. This enables us to deduce the algorithms of noise suppressi…
Angular Dependency of Hyperspectral Measurements over Wheat Characterized by a Novel UAV Based Goniometer
2015
In this study we present a hyperspectral flying goniometer system, based on a rotary-wing unmanned aerial vehicle (UAV) equipped with a spectrometer mounted on an active gimbal. We show that this approach may be used to collect multiangular hyperspectral data over vegetated environments. The pointing and positioning accuracy are assessed using structure from motion and vary from σ = 1° to 8° in pointing and σ = 0.7 to 0.8 m in positioning. We use a wheat dataset to investigate the influence of angular effects on the NDVI, TCARI and REIP vegetation indices. Angular effects caused significant variations on the indices: NDVI = 0.83–0.95; TCARI = 0.04–0.116; REIP = 729–735 nm. Our analysis high…
Matching heterogeneous job seekers and vacancies : empirical studies using Finnish data
2006
On the History of Differentiable Manifolds
2012
International audience; We discuss central aspects of history of the concept of an affine dif-ferentiable manifold, as a proposal confirming the need for using some quantitative methods (drawn from elementary Model Theory) in Mathematical Historiography. In particular, we prove that this geometric structure is a syntactic rigid designator in the sense of Kripke-Putnam.