Efficient hydrogen storage on Al decorated C24N24: a DFT study-Reference-Cited by-同舟云学术

Efficient hydrogen storage on Al decorated C24N24: a DFT study

Published:2021 Issue:45 Volume:45 Page:21225-21235
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Esrafili Mehdi D.¹^ORCID,Mousavian Parisasadat¹

Affiliation:

1. Department of Chemistry, Faculty of Basic Sciences, University of Maragheh, P.O. Box 55136-553, Maragheh, Iran

Abstract

Hydrogen storage on Al-decorated C24N24 is explored by the dispersion corrected DFT calculations. Each Al site in the Al6C24N24 cluster can adsorb up to five H2 molecules, with an average adsorption energy of −0.30 eV.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D1NJ04096K

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