▎ 摘 要
Using first-principles calculations, we investigate the electronic and magnetic properties of zigzag graphene nanoribbons (ZGNRs) with side-attached trans-polyacetylene (CnHn+1). The band gap is strongly dependent on the number n of C atoms in the polyacetylene chain: the gap of the system with even n is much bigger than that with odd n +1, whereas the parity dependence of n is gradually weakened with an increasing n. Moreover, the magnetic moment oscillation between 1 and 0 mu B, with n odd and even, also reveals a parity effect due to the electron transfer from the ZGNRs to polyacetylene chain with odd n. Copyright (C) EPLA, 2015