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Enhanced Selective Hydrogen Permeation through Graphdiyne Membrane: A Theoretical Study
Graphdiyne (GDY), with uniform pores and atomic thickness, is attracting widespread attention for application in H(2) separation in recent years. However, the challenge lies in the rational design of GDYs for fast and selective H(2) permeation. By MD and DFT calculations, several flexible GDYs were...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7650590/ https://www.ncbi.nlm.nih.gov/pubmed/33076414 http://dx.doi.org/10.3390/membranes10100286 |