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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

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Bibliographische Detailangaben
Veröffentlicht in:Molecules
Hauptverfasser: Wang, Jing, Chen, Yuhong, Yuan, Lihua, Zhang, Meiling, Zhang, Cairong
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI 2019
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6651430/
https://ncbi.nlm.nih.gov/pubmed/31252605
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24132382
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