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Formation of carbyne and graphyne on transition metal surfaces
1Department of Physics, East China Normal University, Shanghai, 200241, People's Republic of China.
Abstract:
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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