Journal
NANOSCALE
Volume 6, Issue 21, Pages 12727-12731Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4nr03757j
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Funding
- NSFC [21303056, 21273189]
- Hong Kong GRF [B-Q35N, B-Q26 K]
- Shanghai Pujiang Program [13PJ1402600]
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The electronic and geometric structures of carbyne on various transition metal surfaces were investigated by theoretical calculations. It was found that carbyne on non-active metal surfaces has a polyynic structure, while a polycumulenic structure is more stable on active catalyst surfaces. The self-assembly of carbyne on a metal substrate could lead to the synthesis of graphyne.
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