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Article(6)
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Journal of Magnetism and Magnetic Materials(2)
Advanced Materials Interfaces(1)
Computational Materials Science(1)
Journal of Materials Chemistry A(1)
Physical Chemistry Chemical Physics(1)
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scopus(6)
Ab initio study of the magnetic behavior of metal hydrides: A comparison with the Slater-Pauling curve
ArticleAbstract: We investigated the magnetic behavior of metal hydrides FeHx, CoHx and NiHx for several concentratioPalabras claves:CoH x, FeH x, Ferromagnetics metal hydrides, Metal hydrides alloys, NiH x, Slater-Pauling curveAutores:José Mejía-López, León A.M., Vargas P., Velásquez É.A.Fuentes:scopusHydrogen induced AFM to FM magnetic transition in ε-FeH<inf>x</inf>
ArticleAbstract: We study the magnetic behavior of the metallic system ∊-FeHx as a function hydrogen concentration (xPalabras claves:Autores:José Mejía-López, León A.M., Torres F., Vargas P., Velásquez É.A.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: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: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:scopus