▎ 摘　　要

Metal-atom diffusions in graphene and polyacetylene solids are studied using the first-principles calculations. We found common features between both systems; the low-negativity atoms such as Al diffuse across the pi-conjugated carbon-carbon (C-C) bonds and have large potential barriers around 0.4-0.8 eV, while the high-negativity atoms like Au move along the pi-conjugated C-C bonds and have small barriers less than 0.2 eV. By analyzing electronic structures, it is shown that such differences originate from the difference of bonding characters between metal atoms and organic systems, reflecting the electronegativity of metal atoms. (c) 2010 The Japan Society of Applied Physics