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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Detalles Bibliográficos
Autores principales: Wang, Jing, Chen, Yuhong, Yuan, Lihua, Zhang, Meiling, Zhang, Cairong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6651430/
https://www.ncbi.nlm.nih.gov/pubmed/31252605
http://dx.doi.org/10.3390/molecules24132382

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6651430/
https://www.ncbi.nlm.nih.gov/pubmed/31252605
http://dx.doi.org/10.3390/molecules24132382

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