LUIS JAVIER
GALLEGO DEL HOYO
Investigador no período 1992-2024


Universidad de Valladolid
Valladolid, EspañaPublicacións en colaboración con investigadores/as de Universidad de Valladolid (60)
2024
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Li-decorated BC3 nanopores: Promising materials for hydrogen storage
International Journal of Hydrogen Energy, Vol. 57, pp. 26-38
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Usable hydrogen-storage capacities of Li-decorated borophene nanopores in charge-discharge cycles
Journal of Energy Storage, Vol. 92
2021
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Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure
International Journal of Hydrogen Energy, Vol. 46, Núm. 29, pp. 15724-15737
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Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study
Applied Surface Science, Vol. 562
2019
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Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study
International Journal of Hydrogen Energy, Vol. 44, Núm. 2, pp. 1021-1033
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Tunable gap in stable arsenene nanoribbons opens the door to electronic applications
RSC Advances, Vol. 9, Núm. 21, pp. 11818-11823
2018
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Density Functional Study of Charge Transfer at the Graphene/Ionic Liquid Interface
Journal of Physical Chemistry C, Vol. 122, Núm. 27, pp. 15070-15077
2017
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What will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties
Physical Chemistry Chemical Physics, Vol. 19, Núm. 2, pp. 1054-1061
2016
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Spin-polarized transport in hydrogen-passivated graphene and silicene nanoribbons with magnetic transition-metal substituents
Physical Chemistry Chemical Physics, Vol. 18, Núm. 32, pp. 22606-22616
2015
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Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains
Journal of Physics Condensed Matter, Vol. 27, Núm. 13
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Structural, magnetic, and vibrational properties of stoichiometric clusters of CrN
International Journal of Quantum Chemistry, Vol. 115, Núm. 8, pp. 523-528
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Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study
International Journal of Hydrogen Energy
2014
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Spin-dependent electronic conduction along zigzag graphene nanoribbons bearing adsorbed Ni and Fe nanostructures
Journal of Physics Condensed Matter, Vol. 26, Núm. 16
2013
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Molecular hydrogen uptake by zigzag graphene nanoribbons doped with early 3d transition-metal atoms
International Journal of Hydrogen Energy, Vol. 38, Núm. 21, pp. 8872-8880
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Static structure, microscopic dynamics and electronic properties of the liquid Bi-Li alloy. An ab initio molecular dynamics study
Modelling and Simulation in Materials Science and Engineering, Vol. 21, Núm. 7
2012
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Al enhances the H 2 storage capacity of graphene at nanoribbon borders but not at central sites: A study using nonlocal van der Waals density functionals
Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 12
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Electronic structure and transport properties of monatomic Fe chains in a vacuum and anchored to a graphene nanoribbon
Journal of Physics Condensed Matter, Vol. 24, Núm. 45
2011
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Magnetic cooperative effects in small Ni-Ru clusters
Journal of Physical Chemistry A, Vol. 115, Núm. 47, pp. 13950-13955
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Static structure, microscopic dynamics and electronic properties of the liquid Bi-Pb alloy. An ab initio molecular dynamics study
Journal of Nuclear Materials, Vol. 411, Núm. 1-3, pp. 163-170
2010
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Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid Bi near melting using real-space pseudopotentials
Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 13