본문 바로가기
  • Home

An hydrogen adsorption study on graphene-based surfaces with core–shell type catalysts

  • Carbon Letters
  • Abbr : Carbon Lett.
  • 2023, 33(3), pp.823-832
  • DOI : 10.1007/s42823-023-00463-w
  • Publisher : Korean Carbon Society
  • Research Area : Natural Science > Natural Science General > Other Natural Sciences General
  • Received : September 16, 2022
  • Accepted : January 9, 2023
  • Published : May 1, 2023

Vallejo Emmanuel 1

1Escuela Superior de Apan, Universidad Autónoma del Estado de Hidalgo, Carretera Apan-Calpulalpan Km. 8, Col. Chimalpa, 43920, Apan, Hidalgo, Mexico

Accredited

ABSTRACT

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.

Citation status

Scopus Citation Counts (1) This is the result of checking the information with the same ISSN, publication year, volume, and start page between articles in KCI and the SCOPUS journals. (as of 2023-10-01)

* References for papers published after 2022 are currently being built.