Does boron or nitrogen substitution affect hydrogen physisorption on open carbon surfaces?
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Date
2022-01
Journal Title
Journal ISSN
Volume Title
Publisher
Royal Society of Chemistry
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−1 and calculated qst = −ΔHads = 4.1 ± 0.7 kJ mol−1 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.
Description
copyright Royal Society of Chemistry 2022
Keywords
coron, nitrogen, hydrogen, physisorption, open carbon surfaces