Forming of organic/inorganic material heterojunction: Effectively improve the carrier separation rate and solar energy utilization rate

CdS is a kind of traditional inorganic semiconductor, but its photocatalytic performance is far from satisfactory. In order to improve the photocatalytic performance of CdS. We decided to use organic material C2N-h2D to form organic-inorganic heterojunction, CdS/C2N-h2D heterojunction, to improve the photocatalytic performance of CdS. First of all, the CdS, C2N-h2D and CdS/C2N-h2D heterojunction was studied by using the HSE06 hybrid functional method. The energy band and DOS of CdS/C2N-h2D heterojunction were calculated, and the band gap and band types of CdS/C2N-h2D heterojunction were determined. Next, the interaction between CdS and C2N-h2D is discussed. The results showed that the VBM and CBM of CdS and C2N-h2D changed with the forming of heterojunction. In addition, the light absorption spectra show that CdS/C2N-h2D heterojunction has a higher absorption efficiency for visible light. These results indicate that CdS/C2N-h2D heterojunction has a significant advantage in improving the photocatalytic efficiency under visible light irradiation.