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      High-capacity hydrogen storage in zirconium decorated psi-graphene: acumen from density functional theory and molecular dynamics simulations

      Author(s): , ,
      Publication date Created:
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      Journal: International Journal of Hydrogen Energy
      Publisher: Elsevier BV

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          Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

          G Kresse, J. Furthmüller (1996)
          Article 0 comments Cited 18189 times – based on 0 reviews     Review now
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            Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

            G Kresse, J. Furthmüller (1996)
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              Ab initiomolecular dynamics for liquid metals

              G Kresse, J Hafner (1993)
              Article 0 comments Cited 3180 times – based on 0 reviews     Review now
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                Author and article information

                Contributors
                Brahmananda Chakraborty: (View ORCID Profile)
                Journal
                Title: International Journal of Hydrogen Energy
                Abbreviated Title: International Journal of Hydrogen Energy
                Publisher: Elsevier BV
                ISSN (Print): 03603199
                Publication date Created: December 2023
                Publication date (Print): December 2023
                Volume: 48
                Issue: 96
                Pages: 37860-37871
                Article
                DOI: 10.1016/j.ijhydene.2022.08.084
                SO-VID: bfb2d589-d6be-4748-8b91-e263867de56b
                Copyright © © 2023
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                https://www.elsevier.com/tdm/userlicense/1.0/

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