Table 1 Calculated adsorption energies \(E_{ads}\) (eV/atom), \(C{-}C\) distance (Å), and calculated work functions \(\varphi\) (eV) for clean Cu, C\(_2\)/Cu at 0.50 and 1.00 ML coverages, and for the graphitic-like structure.
Material | \(E_{ads}\) (eV/atom) | \(C{-}C\) Distance (Å) | \(\varphi _{cal}\) (eV) |
|---|---|---|---|
Cu | n/a | n/a | 4.40 (4.4822) |
\(C_2/Cu\) (0.50 ML) | − 4.74 | 1.30 | 4.75 |
\(C_2/Cu\) (1.00 ML) | − 4.50 | 1.32 | 4.91 |
Graphite | − 6.56 | 1.37–1.52 | 7.63 |