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Theory-guided metal-decoration of nanoporous carbon for hydrogen storage applications.
- Source :
-
Surface & Coatings Technology . Oct2018, Vol. 351, p42-49. 8p. - Publication Year :
- 2018
-
Abstract
- The current paper presents a combined ab initio and experimental study of H 2 adsorption on carbon. Adsorption energetics of a H 2 molecule on pristine graphene were obtained for various molecule orientations, showing that the perpendicular-to-surface orientation is energetically more preferable ( E ads = −0.076eV/H 2 ) than the parallel orientations ( E ads ≈−0.071eV/H 2 ). Subsequently, B, Co, Ni, Pd, Pt and Ru substituents of a C atom in graphene were considered, leading to the conclusion that Pt and Ru promote the H 2 adsorption by ≈−0.012eV/H 2 . Pt promotes adsorption in all its neighbouring hexagons, while Ru impact is localised to the position directly above the dopant. Pure, Pt and Ru-doped ordered mesoporous carbon samples were evaluated experimentally for their H 2 adsorption performance under a low-pressure regime (up to 1 bar) at cryogenic and room temperatures ( i.e., 77 and 298 K, respectively). These experimental measurements indicated that, while the specific area of the metal-decorated carbons is lower than that of the pristine carbon material, the presence of Pt and Ru nanoparticles leads to a slight improvement of the H 2 uptake performance at room temperature. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 02578972
- Volume :
- 351
- Database :
- Academic Search Index
- Journal :
- Surface & Coatings Technology
- Publication Type :
- Academic Journal
- Accession number :
- 131183163
- Full Text :
- https://doi.org/10.1016/j.surfcoat.2018.07.025