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Does boron or nitrogen substitution affect hydrogen physisorption on open carbon surfaces?

Authors :
Rowsey R
Taylor EE
Hinson RW
Compton D
Stadie NP
Szilagyi RK
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