LUIS JAVIER
GALLEGO DEL HOYO
Researcher in the period 1992-2024
Publications (149) LUIS JAVIER GALLEGO DEL HOYO publications
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
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Tuning the hybrid borophene−/graphene-ionic liquid interface: Effect of metal cations on the electronic and photonic properties
Journal of Molecular Liquids, Vol. 321
2020
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Electronic and optical properties of borophene and graphene with an adsorbed ionic liquid: A density functional theory study
Journal of Molecular Liquids, Vol. 316
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Ionic liquids nanoconfined in zeolite-templated carbon: A computational study
Journal of Molecular Liquids, Vol. 318
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Nanoconfined ionic liquids: A computational study
Journal of Molecular Liquids, Vol. 320
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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Molecular dynamics simulations of novel electrolytes based on mixtures of protic and aprotic ionic liquids at the electrochemical interface: Structure and capacitance of the electric double layer
Electrochimica Acta, Vol. 305, pp. 223-231
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Solvation in ionic liquid-water mixtures: A computational study
Journal of Molecular Liquids, Vol. 292
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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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3D structure of the electric double layer of ionic liquid-alcohol mixtures at the electrochemical interface
Physical Chemistry Chemical Physics, Vol. 20, Núm. 48, pp. 30412-30427
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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
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GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps
Journal of Chemical Theory and Computation, Vol. 14, Núm. 2, pp. 466-478
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Molecular dynamics simulations of the structure of mixtures of protic ionic liquids and monovalent and divalent salts at the electrochemical interface
Physical Chemistry Chemical Physics, Vol. 20, Núm. 18, pp. 12767-12776
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Solvation of Al3+ cations in bulk and confined protic ionic liquids: A computational study
Physical Chemistry Chemical Physics, Vol. 20, Núm. 28, pp. 19071-19081
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The effect of alkyl chain length on the structure and thermodynamics of protic-aprotic ionic liquid mixtures: A molecular dynamics study
Physical Chemistry Chemical Physics, Vol. 20, Núm. 15, pp. 9938-9949
2017
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Molecular dynamics simulation of the structure and interfacial free energy barriers of mixtures of ionic liquids and divalent salts near a graphene wall
Physical Chemistry Chemical Physics, Vol. 19, Núm. 1, pp. 846-853
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Nanostructured solvation in mixtures of protic ionic liquids and long-chained alcohols
Journal of Chemical Physics, Vol. 146, Núm. 12