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....

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Bibliographic Details
Main Authors: Jing Wang, Yuhong Chen, Lihua Yuan, Meiling Zhang, Cairong Zhang
Format: Artigo
Language:Inglês
Published: MDPI AG 2019-06-01
Series:Molecules
Subjects:
first principles
porous graphene
B doped Sc modified PG
hydrogen storage
Online Access:https://www.mdpi.com/1420-3049/24/13/2382
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