Theoretical investigation of novel carbazole-fluorene based D-π-A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells (DSCs)

• Main Authors: Thanisorn Yakhanthip, Siriporn Jungsuttiwong, Supawadee Namuangruk, Nawee Kungwan, Vinich Promarak, Taweesak Sudyoadsuk, Palita Kochpradist
• Format: Journal
• Published: 2018
• Subjects: Chemistry; Mathematics
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=79953746622&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/49832
• Institution: Chiang Mai University

The ground state structure and frontier molecular orbital of newly synthesized carbazole-fluorene based D-π-A organic dyes, CFP1A, CFP2A, CFP1CA, and CFP2CA, were theoretically investigated using density functional theory (DFT) at B3LYP/6-31G(d,p) level. These dye molecules have been constructed bas...