Abstract
C2N has become a promising two-dimensional material in fundamental researches and potential applications, while its light absorption properties got little attention. Here, the one-photon absorption (OPA) and two-photon absorption (TPA) spectra and the corresponding photoinduced charge transfer characteristics of C2N and C2N edge-modified with oxygenated groups (C2NOG) are calculated and analyzed in detail by using density functional theory and visualization methods. Compared with C2N, the OPA peaks of C2NOG are contributed by more excited states. For TPA process, there is only two-step transition behaviors on C2N, whereas the results of C2NOG present both one-step and two-step transition characteristics.
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