Improvement of the hydrogen storage performance of t-graphene-like two-dimensional boron nitride upon selected lithium decoration

In recent years, search for applicable bidimensional (2D) hydrogen storage materials with high capacity and excellent H 2 physisorption properties has attracted considerable attention from scientists and researchers. According to the rational design, and using first-principles calculations, we propo...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-06, Vol.24 (24), p.1548-1559
Hauptverfasser:	EL Kassaoui, Majid, Lakhal, Marwan, Benyoussef, Abdelilah, El Kenz, Abdallah, Loulidi, Mohammed, Mounkachi, Omar
Format:	Artikel
Sprache:	eng
Schlagworte:	Boron nitride Critical point Diffusion barriers Diffusion rate First principles Graphene Hydrogen Hydrogen storage materials Hydrogen-based energy Lithium Mathematical analysis Molecular dynamics Storage capacity Thermal stability
Online-Zugang:	Volltext
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