“…The conclusion is the same, namely, when the localized states appear in the main conduction channel, the Fano antiresonance will come into being. In fact, for analyzing the localized states, one suitable method is to transform the Hamiltonian into its molecular-orbit representation, which helps to clarify the localized-state positions and the couplings between the localized states and the leads [44,47]. In some other GNRs, if the antiresonance originates from the alternate mechanisms, such as the edge state [48] or the twofold degenerate resonant levels [10], the antiresonance position can be solved exactly.…”