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scopus(81)
Charge transfer evidence in donor–acceptor single-walled carbon nanotubes filled with sexithiophene oligomers: Nanotube diameter dependence
ArticleAbstract: Encapsulation of photoactive organic molecules inside single-walled carbon nanotubes (SWNTs) appearsPalabras claves:Charge transfer, organic solar cells, Raman, sexithiophene, SWNTsAutores:Boutahir M., Chadli H., Chenouf J., Hermet P., José Mejía-López, Rahmani A.Fuentes:scopus(Cu)tet(Cr2- xSnx)octS4- ySey Spinels: Crystal Structure, Density Functional Theory Calculations, and Magnetic Behavior
ArticleAbstract: A new series of (Cu)<inf>tet</inf>[Cr<inf>2-x</inf>Sn<inf>x</inf>]<inf>oct</inf>S<inf>4-y</inf>Se<inPalabras claves:Autores:Barahona P., Galdámez A., José Mejía-López, Moris S., Peña O., Valencia-Gálvez P.Fuentes:scopusA charge optimized many-body potential for iron/iron-fluoride systems
ArticleAbstract: A classical interatomic potential for iron/iron-fluoride systems is developed in the framework of thPalabras claves:Autores:José Mejía-López, Romero A.H., Tangarife E.Fuentes:scopusThermal gradients for the stabilization of a single domain wall in magnetic nanowires
ArticleAbstract: By means of Monte Carlo simulations we studied field driven nucleation and propagation of transversePalabras claves:domain wall propagation control, domain walls, ferromagnetic nanowires, Monte Carlo simulations, Thermal gradientsAutores:Altbir D., José Mejía-López, Mazo-Zuluaga J., Velásquez É.A.Fuentes:scopusTuning Magnetic Order in CrI3 Bilayers via Moiré Patterns
ArticleAbstract: Commensurable twisted bilayers can drastically change the magnetic properties of chromium trihalidePalabras claves:2d materials, CrI layers 3, CrI3 layers, magnetic order, Moiré patternsAutores:Caro-Lopera F., José Mejía-López, León A.M., Velásquez É.A.Fuentes:scopusStrain-induced phase transition in CrI3 bilayers
ArticleAbstract: A monolayer of CrI<inf>3</inf> is a two-dimensional crystal in its equilibrium configuration is a fePalabras claves:2d materials, DFT, magnetic properties, Strain, transition metal halidesAutores:Crasto De Lima F., González J.W., José Mejía-López, León A.M., Suárez Morell E.Fuentes:scopusStructural Relaxation and Crystalline Phase Effects on the Exchange Bias Phenomenon in FeF2/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, FeF2/Fe core/shell nanoparticles, interface and surface structural relaxation, Monte Carlo, multiscaling methodologyAutores:José Mejía-López, Mazo-Zuluaga J., Tangarife E., Velásquez É.A.Fuentes:scopusStructural similarities between Ti metal and titanium oxides: Implications on the high-pressure behavior of oxygen in metallic matrices
ArticleAbstract: The stabilities of the body-centered-tetragonal and distorted-diamond phases of titanium are investiPalabras claves:Density functional theory calculations, High pressure, Phase transformations, titanium, titanium dioxideAutores:A. Vegas, Baonza V.G., José Mejía-López, Kiwi M., Romero A.H., Santamaría-Pérez D., Vegas 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