Issue 46, 2022

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

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.

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

Supplementary files

Article information

Article type
Communication
Submitted
27 août 2022
Accepted
14 nov. 2022
First published
15 nov. 2022

Phys. Chem. Chem. Phys., 2022,24, 28121-28126

Author version available

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

R. Rowsey, E. E. Taylor, R. W. Hinson, D. Compton, N. P. Stadie and R. K. Szilagyi, Phys. Chem. Chem. Phys., 2022, 24, 28121 DOI: 10.1039/D2CP03975C

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