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Does boron or nitrogen substitution affect hydrogen physisorption on open carbon surfaces?
- Source :
-
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2022 Nov 30; Vol. 24 (46), pp. 28121-28126. Date of Electronic Publication: 2022 Nov 30. - Publication Year :
- 2022
-
Abstract
- Incorporation of heteroatoms in carbon materials is commonly expected to influence their physical or chemical properties. However, contrary to previous results for methane adsorption, no technologically significant effect was identified for the hydrogen physisorption energies (measured 4.1-4.6 kJ mol <superscript>-1</superscript> and calculated q <subscript>st</subscript> = -Δ H <subscript>ads</subscript> = 4.1 ± 0.7 kJ mol <superscript>-1</superscript> using a comprehensive set of levels of theory) as a function of B- and N-substitution of a mid-plane C-site on open carbon surfaces.
Details
- Language :
- English
- ISSN :
- 1463-9084
- Volume :
- 24
- Issue :
- 46
- Database :
- MEDLINE
- Journal :
- Physical chemistry chemical physics : PCCP
- Publication Type :
- Academic Journal
- Accession number :
- 36412497
- Full Text :
- https://doi.org/10.1039/d2cp03975c