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@article{ART002964408},
author={Vallejo Emmanuel},
title={An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts},
journal={Carbon Letters},
issn={1976-4251},
year={2023},
volume={33},
number={3},
pages={823-832},
doi={10.1007/s42823-023-00463-w}

TY - JOUR
AU - Vallejo Emmanuel
TI - An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts
JO - Carbon Letters
PY - 2023
VL - 33
IS - 3
PB - Korean Carbon Society
SP - 823
EP - 832
SN - 1976-4251
AB - An hydrogen adsorption study on graphene-based surfaces consisting of nitrogen-doped graphene and core–shell type catalysts of initially Pd13 , Pt13 , PdPt12 and PtPd12 core–shells, is presented in this work. Density functional theory results indicate correlation between charge transfer and structural properties, hydrogen adsorption energies, magnetic behavior and electronic properties. Reduction of hydrogen, together with higher values of charge transfer was observed for high hydrogen dissociation, compared to the case of non-hydrogen dissociation. In some cases, these values may be almost an order of magnitude larger than that of non-hydrogen dissociation. Hydrogen dissociation is also related to oxidation of the surface and correlates with a non-core shell-type structure, high adsorption energies and low magnetic moments, in general. Besides, core shell-type structure dramatically changes the magnetic and electronic properties of charge transfer. The results obtained in this work may provide important information for storing hydrogen.
KW - Modeling of materials Magnetic materials Electronic materials Core–shell-type catalysts
DO - 10.1007/s42823-023-00463-w
ER -

Vallejo Emmanuel. (2023). An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts. Carbon Letters, 33(3), 823-832.

Vallejo Emmanuel. 2023, "An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts", Carbon Letters, vol.33, no.3 pp.823-832. Available from: doi:10.1007/s42823-023-00463-w

Vallejo Emmanuel "An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts" Carbon Letters 33.3 pp.823-832 (2023) : 823.

Vallejo Emmanuel. An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts. 2023; 33(3), 823-832. Available from: doi:10.1007/s42823-023-00463-w

Vallejo Emmanuel. "An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts" Carbon Letters 33, no.3 (2023) : 823-832.doi: 10.1007/s42823-023-00463-w

Vallejo Emmanuel. An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts. Carbon Letters, 33(3), 823-832. doi: 10.1007/s42823-023-00463-w

Vallejo Emmanuel. An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts. Carbon Letters. 2023; 33(3) 823-832. doi: 10.1007/s42823-023-00463-w

Vallejo Emmanuel. An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts. 2023; 33(3), 823-832. Available from: doi:10.1007/s42823-023-00463-w

Vallejo Emmanuel. "An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts" Carbon Letters 33, no.3 (2023) : 823-832.doi: 10.1007/s42823-023-00463-w