Investigation of NH 3 adsorption behavior on graphdiyne nanosheet and nanotubes: A first-principles study

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Title
Investigation of NH 3 adsorption behavior on graphdiyne nanosheet and nanotubes: A first-principles study
Authors
Keywords
Graphdiyne, Nanosheet, Adsorption, Nanotube, HOMO-LUMO gap, Formation energy
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 249, Issue -, Pages 24-32
Publisher
Elsevier BV
Online
2017-11-09
DOI
10.1016/j.molliq.2017.11.007

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