title: Formation of carbyne and graphyne on transition metal surfaces.
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.
authors.affiliation: Department of Physics, East China Normal University, Shanghai, 200241, People's Republic of China.
authors.forename: Qinghong
authors.initials: Q
authors.lastname: Yuan
authors.forename: Feng
authors.initials: F
authors.lastname: Ding