Search results for "Splitting"

Response determination of linear dynamical systems with singular matrices: A polynomial matrix theory approach

2017

Abstract An approach is developed based on polynomial matrix theory for formulating the equations of motion and for determining the response of multi-degree-of-freedom (MDOF) linear dynamical systems with singular matrices and subject to linear constraints. This system modeling may appear for reasons such as utilizing redundant DOFs, and can be advantageous from a computational cost perspective, especially for complex (multi-body) systems. The herein developed approach can be construed as an alternative to the recently proposed methodology by Udwadia and coworkers, and has the significant advantage that it circumvents the use of pseudoinverses in determining the system response. In fact, ba…

111 oriented gold nanoplatelets on multilayer graphene as visible light photocatalyst for overall water splitting

2016

[EN] Development of renewable fuels from solar light appears as one of the main current challenges in energy science. A plethora of photocatalysts have been investigated to obtain hydrogen and oxygen from water and solar light in the last decades. However, the photon-to-hydrogen molecule conversion is still far from allowing real implementation of solar fuels. Here we show that 111 facet-oriented gold nanoplatelets on multilayer graphene films deposited on quartz is a highly active photocatalyst for simulated sunlight overall water splitting into hydrogen and oxygen in the absence of sacrificial electron donors, achieving hydrogen production rate of 1.2 molH2 per gcomposite per h. This phot…

Investigation of ultrathin iron and iron/nickel layers prepared from Langmuir-Blodgett films

1996

Oxidic and metallic iron and iron/nickel multilayers, formed after thermal and chemical treatment of Langmuir-Blodgett films, were investigated. Reduced iron-stearate multilayers were compared with evaporated films concerning their phase composition and their lateral homogeneity. The sequence of metallic and oxidic iron in the films after reduction was determined. Oxidic iron/nickel mixed layers can be prepared from Langmuir-Blodgett films, in which a magnetically non-ordered Fe3+ phase exhibiting a distribution of the quadrupole splitting is observed. After reduction of such layers, two metallic iron phases appear dependent on the nickel concentration. The hyperfine field distribution of t…

Mössbauer effect study of the electronic ground state of iron(II)in tris(2-chlorophenanthroline)iron(II) perchlorate

1976

Abstract Mossbauer spectra of [Fe(2-Cl-phen) 3 ](ClO 4 ) 2 ·H 2 O have been measured in the temperature range 293 − 5 K. The spectra indicate that the iron atom in this compound possesses a spin quintet ground state throughout the temperature range under study, in contradiction to the suggested high spin-low spin transition, which has been concluded from a magnetic susceptibility study by other authors. From a theoretical analysis of the temperature dependence of the quadrupole splitting, with trigonal distortion, spin-orbit coupling, and effects of covalency taken into account, the ground term of iron(II) in this compound has been elucidated as being 5 A 1 ( 5 T 2g ), separated from the 5 …

Nuclear Quadrupole Moment of 119Sn

2008

Second-order scalar-relativistic Douglas-Kroll-Hess density functional calculations of the electric field gradient, including an analytic correction of the picture change error, were performed for 34 tin compounds of which molecular structures and Sn-119 Mossbauer spectroscopy parameters are experimentally known. The components of the diagonalized electric field gradient tensor, V-xx,V-yy, V-zz, were used to determine the quantity V, which is proportional to the nuclear quadrupole splitting parameter Delta E. The slope of the linear correlation plot of the experimentally determined Delta E parameter versus the corresponding calculated V data allowed us to obtain an absolute value of the nuc…

Aromaticity and planarity of zinc phthalocyanine (ZnPc) characterized by splitting of NICS(1) index

2018

The planarity of zinc phthalocyanine (ZnPc) in the gas phase and water, with solute-solvent interactions modeled by polarized continuum model (PCM), has been characterized with new indexes of aromaticity. The aromaticity of individual ring subunits of ZnPc molecule was studied on the basis of nucleus independent chemical shift index (NICS) above and below the molecular plane. Density functional theory (DFT) with selected Pople-type basis sets was used to study the local aromaticity. The calculated NICS(1) and NICS(-1) indexes of aromaticity for a non-planar ZnPc molecule in the polar environment are significantly different.

Doped 1D Nanostructures of Transition-metal Oxides: First-principles Evaluation of Photocatalytic Suitability

2016

Structure-Directing and High-Efficiency Photocatalytic Hydrogen Production by Ag Clusters

2014

H2 production by water splitting is hindered mainly by the lack of low-cost and efficient photocatalysts. Here we show that sub-nanometric silver clusters can catalyze the anisotropic growth of gold nanostructures by preferential adsorption at certain crystal planes of Au seeds, with the result that the final nanostructure can be tuned via the cluster/seed ratio. Such semiconducting Ag clusters are extremely stable and retain their electronic structure even after adsorption at the tips of Au nanorods, enabling various photocatalytic experiments, such as oxygen evolution from basic solutions. In the absence of electron scavengers, UV irradiation generates photoelectrons, which are stored wit…

Formation of ZnO nanowires by anodization under hydrodynamic conditions for photoelectrochemical water splitting

2020

[EN] The present work studies the influence of hydrodynamic conditions (from 0 to 5000 rpm) during Zn anodization process on the morphology, structure and photoelectrocatalytic behavior of ZnO nanostructures. For this purpose, analysis with Confocal Laser-Raman Spectroscopy, Field Emission Scanning Electron Microscope (FE-SEM) and photoelectrochemical water splitting tests were performed. This investigation reveals that hydrodynamic conditions during anodization promoted the formation of ordered ZnO nanowires along the surface that greatly enhance its stability and increases the photocurrent density response for water splitting in a 159% at the 5000 rpm electrode rotation speed.

Controlled hydrodynamic conditions on the formation of iron oxide nanostructures synthesized by electrochemical anodization: Effect of the electrode …

2017

[EN] Iron oxide nanostructures are of particular interest because they can be used as photocatalysts in water splitting due to their advantageous properties. Electrochemical anodization is one of the best techniques to synthesize nanostructures directly on the metal substrate (direct back contact). In the present study, a novel methodology consisting of the anodization of iron under hydrodynamic conditions is carried out in order to obtain mainly hematite (alpha-Fe2O3) nanostructures to be used as photocatalysts for photoelectrochemical water splitting applications. Different rotation speeds were studied with the aim of evaluating the obtained nanostructures and determining the most attract…