Scandium Decoration of Boron Doped Porous Graphene for High-Capacity Hydrogen Storage

The hydrogen storage properties of the Scandium (Sc) atom modified Boron (B) doped porous graphene (PG) system were studied based on the density functional theory (DFT). For a single Sc atom, the most stable adsorption position on B-PG is the boron-carbon hexagon center after doping with the B atom....

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Hauptverfasser: Jing Wang, Yuhong Chen, Lihua Yuan, Meiling Zhang, Cairong Zhang
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI AG 2019-06-01
Schriftenreihe:Molecules
Schlagworte:
first principles
porous graphene
B doped Sc modified PG
hydrogen storage
Online Zugang:https://www.mdpi.com/1420-3049/24/13/2382
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge