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Li-Decorated β(12)-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study

The hydrogen storage properties of pristine β(12)-borophene and Li-decorated β(12)-borophene are systemically investigated by means of first-principles calculations based on density functional theory. The adsorption sites, adsorption energies, electronic structures, and hydrogen storage performance...

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Detalles Bibliográficos
Autores principales:	Liu, Tingting, Chen, Yuhong, Wang, Haifeng, Zhang, Meiling, Yuan, Lihua, Zhang, Cairong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5744334/ https://www.ncbi.nlm.nih.gov/pubmed/29215598 http://dx.doi.org/10.3390/ma10121399

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