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Fe/Ni core/shell nanowires and nanorods: A combined first-principles and atomistic simulation study
ArticleAbstract: In recent years, construction and characterization of core-shell structures have attracted great attPalabras claves:Autores:José Mejía-López, López-Moreno S., Mazo-Zuluaga J., Velásquez É.A.Fuentes:scopusInfluence of non-stoichiometry on the magnetic properties of magnetite nanoparticles
ArticleAbstract: In this study we investigate the magnetic properties of magnetite fine particles using Monte Carlo sPalabras claves:Autores:José Mejía-López, Mazo-Zuluaga J., Restrepo J.Fuentes:scopusLow-energy configurations of Pt<inf>6</inf>Cu<inf>6</inf> clusters and their physical-chemical characterization: a high-accuracy DFT study
ArticleAbstract: Based on a combination of many-body potentials, an analysis of the inertia tensors and a Density FunPalabras claves:Autores:José Mejía-López, Mazo-Zuluaga J., Velásquez É.A.Fuentes:scopusMagnetic effects of interstitial hydrogen in nickel
ArticleAbstract: Hydrogen storage in materials is among the most relevant fields when thinking about energy conversioPalabras claves:ab initio calculations, Ferromagnetic nickel, Interstitial hydrogen, Metal hydrides, NiH x, Stoner modelAutores:Florez J., José Mejía-López, León A.M., Mazo-Zuluaga J., Vargas P., Velásquez É.A.Fuentes:scopusPhysical properties of quasi-one-dimensional MgO and Fe3 O4 -based nanostructures
ArticleAbstract: We have studied the properties of several representative one-dimensional structures - MgO nanowires,Palabras claves:Autores:Duque L.F., José Mejía-López, López-Moreno S., Mazo-Zuluaga J., Munoz F., Romero A.H.Fuentes:scopusUnderstanding the loss of electrochemical activity of nanosized LiMn<inf>2</inf>O<inf>4</inf> particles: a combined experimental and ab initio DFT study
ArticleAbstract: In the field of Li-ion batteries (LIBs), one prevalent expectation is that smaller sized electrode mPalabras claves:Autores:Biaggio S.R., Bocchi N., Del Río R., Falqueto J.B., José Mejía-López, Mazo-Zuluaga J., Rocha-Filho R.C., Silva D.P.B., Velásquez É.A.Fuentes:scopusSequential oxygen chemisorption on Fe<inf>13</inf> clusters: From first-principles to practical insights
ArticleAbstract: With the advent of more precise technologies allowing manipulation of matter at nanoscopic scales anPalabras claves:health and technical applications, iron clusters, magnetic anisotropy energy, oxygen chemisorption, physicalchemical and magnetic propertiesAutores:Ana Mejía-López, José Mejía-López, Mazo-Zuluaga J.Fuentes:scopusStructural Relaxation and Crystalline Phase Effects on the Exchange Bias Phenomenon in FeF<inf>2</inf>/Fe Core/Shell Nanoparticles
ArticleAbstract: In this study, the power of first-principles methods along with molecular dynamics and atomistic MonPalabras claves:charge optimized many-body potential, exchange bias, FeF /Fe core/shell nanoparticles 2, interface and surface structural relaxation, Monte Carlo, multiscaling methodologyAutores:José Mejía-López, Mazo-Zuluaga J., Tangarife E., Velásquez É.A.Fuentes:scopusStructural stability, shape memory and mechanical properties of Fe/Ni core/shell nanorods
ArticleAbstract: During recent years, production and characterization of core-shell nanostructures have been in the cPalabras claves:Fe/Ni core-shell nanowires, molecular dynamics, Shape memory, Thermomechanical deformationAutores:Berríos S.A., D. Mejía-Burgos, José Mejía-López, Mazo-Zuluaga J.Fuentes:scopusStructure and electronic properties of iron oxide clusters: A first-principles study
ArticleAbstract: In this study we present results of electronic structure calculations for some iron oxide clusters oPalabras claves:Autores:José Mejía-López, López-Moreno S., Mazo-Zuluaga J., Restrepo J., Romero A.H.Fuentes:scopus