Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study
Author:
Funder
RUSA 2.0-BEICH
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics
Link
https://link.springer.com/content/pdf/10.1007/s11224-020-01578-w.pdf
Reference62 articles.
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3. Akilan R, Malarkodi M, Vijayakumar S et al (2019) Modeling of 2-D hydrogen-edge capped defected & boron-doped defected graphene sheets for the adsorption of CO2, SO2towards energy harvesting applications. Appl Surf Sci 463:596–609. https://doi.org/10.1016/j.apsusc.2018.08.179
4. Samantaray SS, Sangeetha V, Abinaya S et al (2018) Hydrogen storage in N- and B-doped graphene decorated by small platinum clusters: a computational study. Int J Hydrog Energy 43:6608–6614. https://doi.org/10.1021/acsami.6b02607
5. Nachimuthu S, Lai PJ, Leggesse EG, Jiang JC (2015) A first principles study on boron-doped graphene decorated by Ni-Ti-mg atoms for enhanced hydrogen storage performance. Sci Rep 5:1–8. https://doi.org/10.1038/srep16797
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