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Effect of bimodal surface modification of graphyne on enhanced H2 storage: Density functional theory study

Studies on hydrogen storage materials are proceeding worldwide to enhance adsorptive capacity with a proper adsorption energy between physisorption and chemisorption. Graphyne is the carbon allotropes having sp- and sp2-hybridized carbon atoms. It has not been synthesized yet, but have taken the cen...

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Detalhes bibliográficos
Main Authors: Yongju Kwon, Jeongho Kim, Taeyoon Kim, Hyun Suk Shin, Soonchul Kwon
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2018-11-01
Colecção:AIP Advances
Acesso em linha:http://dx.doi.org/10.1063/1.5063895
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