Ciència dels Materials i Química Física: Envíos recientes
Mostrando ítems 121-140 de 1394
A DF-vdW study of the CH4 adsorption on different Ni surfaces
A systematic density functional (DF) theory based study of methane (CH4) adsorption on the three lowest-index Miller Ni surfaces plus two stepped Ni surfaces is presented. A standard GGA type functional (PBE) has been used ...
Experimental investigation of the initial regime in fingering electrodeposition: Dispersion relation and velocity measurements.
Recently a fingering morphology, resembling the hydrodynamic Saffman-Taylor instability, was identified in the quasi-two-dimensional electrodeposition of copper. We present here measurements of the dispersion relation of ...
Reliable and computationally affordable prediction of the energy gap of (TiO2)(n) (10 <= n <= 563) nanoparticles from density functional theory
The optical gap (Ogap) of a set of (TiO2)n nanoclusters and nanoparticles with n = 10-563 and different morphologies such as spherical, octahedral, lamellar, or tubular finite structures is investigated based on a relativistic ...
Monte Carlo simulation study of diffusion controlled reactions in three dimensional crowded media
Published data reveal that the rate coefficients of diffusion controlled reactions taking place in crowded media are time dependent. Within this study we have performed on lattice 3D Monte Carlo simulations concerning ...
Use of Pt and boron-doped diamond anodes in the electrochemical advanced oxidation of Ponceau SS diazo dye in acidic sulfate medium
The electrochemical degradation of 2.5 L of solutions of Ponceau SS diazo dye in acidic sulfate medium has been studied in a pre-pilot flow plant with a BDD/air-diffusion or Pt/air-diffusion cell connected to an annular ...
Development of hazelnut shell‑derived biochar to support a bifunctional MoCoelectrocatalyst for HER/OER in alkaline medium
Hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), the two concurrent reactions for the electrolytic production of green H2, require low-cost and sustainable electrocatalysts for their scale-up, as for ...
Dynamics of a paramagnetic colloidal particle driven on a magnetic-bubble lattice
We present a theoretical study of the recently observed dynamical regimes of paramagnetic colloidal particles externally driven above a regular lattice of magnetic bubbles [P. Tierno, T. H. Johansen, and T. M. Fischer, ...
Ti|Ir-Sn-Sb oxide anode: service life and role of the acid sites content during water oxidation to hydroxyl radicals
This work describes the preparation of four Ti|Ir-Sn-Sb oxide anodes by the Pechini method under different conditions and the evaluation of their service life, envisaging a future application in electrochemical advanced ...
Idm@ti Network: an innovatiove proposal for improving teaching and learning in Spanish universities
IdM@ti network members concurred in the diagnosis of the difficulties and opportunities arising from Bologna process implementation and teaching methodologies improvement in Materials Science and Engineering (MSE) teaching. ...
Grazynes: carbon-based two-dimensional composites with anisotropic properties
A new family of two-dimensional carbon allotropes is presented, based on graphene stripes linked to each other by acetylenic connections. The large amount of allowed connectivities demands for a family name to them: Grazynes. ...
First principles analysis of the stability and diffusion of oxygen vacancies in meetal oxides
Oxygen vacancies in metal oxides are known to determine their chemistry and physics. The properties of neutral oxygen vacancies in metal oxides of increasing complexity (MgO, CaO, alpha-Al2O3, and ZnO) have been studied ...
Kinetics of the chromium(III)/L-glutamic acid complexation reaction: formation, decay, and uv-vis spectrum of a long-lived intermediate
The kinetics of the aqueous reaction of Cr(III) with either L-glutamic acid or sodium hydrogen L-glutamate at pH 2.46-5.87 have been followed by means of absorbance readings. The rate of formation of the reaction products ...
El racó de la història: Cent anys del tercer principi de la termodinàmica: 1906-2006
l Fons Històric de Física i Química de la Biblioteca de les facultats de Química i Física de la Universitat de Barcelona va néixer el 2005 arran de l'Any Mundial de la Física dedicat al centenari de tres de les principals ...
The nano gold rush: Graphynes as atomic sieves for coinage and Pt-group transition metals
Graphyne two-dimensional materials have been envisaged as potential useful membranes for applications such as gases separation and water desalination with very high salt rejection rates. The graphyne acetylenic linkages ...
Determinacion de las propiedades mecanicas y mecanismos de fractura de electrolitos soportados de YSZ y GDC mediante ensayos de indentacion instrumentada
El objetivo del presente trabajo es evaluar las propiedades mecánicas, así como los diferentes mecanismos de fractura activados mediante ensayos de indentación instrumentada, de electrolitos basados en circona estabilizada ...
Effect of Temperature and Humidity on the Synthesis of Alkali-Activated Binders Based on Bottom Ash from Municipal Waste Incineration
Weathered bottom ash (WBA) from municipal solid waste incineration is a calcium aluminosilicate-rich material mainly used in construction and civil engineering as a secondary aggregate. However, its use is also being ...
Oxidation of hexacyanoferrate(II) ion by hydrogen peroxide: evidence of free radical intermediacy
The redox reaction between hexacyanoferrate(II) ion as the reducing agent and hydrogen peroxide as the oxidizing one, in slightly acid (pH 4.36-6.65) aqueous solutions containing phosphate ions, has been studied by means ...
Understanding the interplay between size, morphology and energy gap in photoactive TiO2 nanoparticles
Anatase TiO 2 nanoparticles (NPs) have the potential to photocatalyse water splitting using UV light, to thus provide hydrogen fuel in a clean and sustainable manner. Such NPs have optical gaps covering a small range of ...
The effect of local environment on photoluminescence: a TD-DFT study of silanone groups on the surface of silica nanostructures
The optical absorption spectrum and lowest photoluminescence PL signal for silanone terminated silica nanostructures are studied using time-dependent density functional theory calculations on a range of realistic low ...
Effect of La3+/Sr2+ ordering on the magnetic properties of La2/3Sr1/3MnO3 by first principles calculations
In this work, using DFT + U formalism, we investigate the effect of order-disorder in the A-site occupation byLa3+and Sr2+on the stability of the ferromagnetic order in La2/3Sr1/3MnO3with−Rc3symmetry. To date, adetailed ...
