Graphene-like boron nitride supported Irn, Pdn, and Ptn (n = 5, 6) clusters: A DFT study

Transition metal clusters adsorbed on hexagonal boron nitride nanosheet (h-BN) has drawn great interest due to its potential application on hydrogen adsorption. Here, we report a density functional theory investigation of the energetic, structural, and electronic properties of the Ptn, Pdn, and Irn...

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Veröffentlicht in:	Diamond and related materials 2020-12, Vol.110, p.108110, Article 108110
Hauptverfasser:	Zargari, Fahimeh, Javan, Masoud, Ghazi, M.E., Izadifard, Morteza
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Adsorption energy Boron Boron nitride Charge transfer Density functional theory Electronic properties Energy gap Graphene H-BN sheet Metal clusters Transition metals Transition metals cluster
Online-Zugang:	Volltext
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