TitleCarbon Dioxide Promotes Dehydrogenation in the Equimolar CH-COReaction to Synthesize Carbon Nanotubes.
Publication TypeJournal Article
AuthorsShi W, Peng Y, Steiner SA, Li J, Plata DL
Date2018 Jan 16

The equimolar CH-COreaction has shown promise for carbon nanotube (CNT) production at low temperatures and on diverse functional substrate materials; however, the electron-pushing mechanism of this reaction is not well demonstrated. Here, the role of COis explored experimentally and theoretically. In particular,C labeling of COdemonstrates that COis not an important C source in CNT growth by thermal catalytic chemical vapor deposition. Consistent with this experimental finding, the adsorption behaviors of CHand COon a graphene-like lattice via density functional theory calculations reveal that the binding energies of CHare markedly higher than that of CO, suggesting the former is more likely to incorporate into CNT structure. Further, H-abstraction by COfrom the active CNT growth edge would be favored, ultimately forming CO and HO. These results support that the commonly observed, promoting role of COin CNT growth is due to a CO-assisted dehydrogenation mechanism.

Alternate JournalSmall
PubMed ID29338116
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