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Effect of pore geometry on ultra-densified hydrogen in microporous carbons

  • Our investigations into molecular hydrogen (H2) confined in microporous carbons with different pore geometries at 77 K have provided detailed information on effects of pore shape on densification of confined H2 at pressures up to 15 MPa. We selected three materials: a disordered, phenolic resin-based activated carbon, a graphitic carbon with slit-shaped pores (titanium carbide-derived carbon), and single-walled carbon nanotubes, all with comparable pore sizes of <1 nm. We show via a combination of in situ inelastic neutron scattering studies, high-pressure H2 adsorption measurements, and molecular modelling that both slit-shaped and cylindrical pores with a diameter of ∼0.7 nm lead to significant H2 densification compared to bulk hydrogen under the same conditions, with only subtle differences in hydrogen packing (and hence density) due to geometric constraints. While pore geometry may play some part in influencing the diffusion kinetics and packing arrangement of hydrogen molecules in pores, pore size remains the critical factor determining hydrogen storage capacities. This confirmation of the effects of pore geometry and pore size on the confinement of molecules is essential in understanding and guiding the development and scale-up of porous adsorbents that are tailored for maximising H2 storage capacities, in particular for sustainable energy applications.

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Document Type:Article
Author:Mi TianORCiD, Matthew J. LennoxORCiD, Alexander J. O´Malley, Alexander J. Porter, Benjamin KrünerORCiD, Svemir Rudic, Timothy J. MaysORCiD, Tina DürenORCiD, Volker PresserORCiD, Lui R. Terry, Stephane Rols, Yanan Fang, Zhili Dong, Sebastien RochatORCiD, Valeska P. TingORCiD
Parent Title (English):Carbon
First Page:968
Last Page:979
Year of first Publication:2021
Release Date:2022/08/08
Tag:confinement; high-pressure adsorption; hydrogen storage; inelastic neutron scattering; microporous carbon
Impact:11.307 (2021)
Funding Information:Rutherford Appleton Laboratory Engineering and Physical Sciences Research Council
DDC classes:500 Naturwissenschaften und Mathematik / 540 Chemie
Open Access:Open Access
Signature:INM 2021/012
Licence (German):License LogoCreative Commons - CC BY - Namensnennung 4.0 International