Photoactuated properties of acetylene-congeners non-metallic dyes and molecular design for solar cells

• Main Authors: Gao, Nan, Lin, Xiaochen, Liu, Jinglin, Li, Yuanzuo, Yang, Yanhui
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2019
• Subjects: Acetylene-congeners; Dye-sensitized Solar Cells (DSSC); DRNTU::Engineering::Chemical engineering
• Online Access: https://hdl.handle.net/10356/103562; http://hdl.handle.net/10220/47329
• Institution: Nanyang Technological University

This paper theoretically simulated (using DFT and TD-DFT in N,N-dimethylformamide (DMF) solvent) the photodynamic properties of three non-metallic dye molecules with D-π-A1-π-A2 structure. The total photoelectric conversion efficiency (PCE) could be evaluated by the following parameters: the geometr...