摘要： The new PVK-F8BT copolymer coupled to poly (9-vinylcarbazole) and poly(9,9-dioctyl?uorene-alt-benzothiadiazole) has been designed and elaborated by chemical oxidation for organic solar cells applications. Structural and photophysical properties were examined using di?erent and complementary techniques (Infrared, optical absorption, stationary and time resolved photoluminescence). The PVK-F8BT exhibited a broad absorption band covering the wavelength range from 200 nm to 700 nm covering the solar spectrum and, highlighting the charge transfer process. Moreover, the PVK-F8BT, showed a low band gap to be found to 1.9 eV and it average lifetime (2.62 ns) are longer than that of F8BT. The resulting copolymer exhibits original optical properties compared to the PVK and F8BT ones. The experimental analyses were coupled to theoretical calculations based on density functional theory and time-dependant density functional theory methods in order to better understand the structure-properties correlation. Furthermore DFT and TD-DFT calculations of the PVK-F8BT have been exploited to optimize the copolymer-based composites based on bulk heterojunction based organic photovoltaic copolymers with the 1-(3-methoxycarbonyl) propyl-1-phenyl-[6,6]–C61, as an acceptor. Thus, the band gap decreased to 1.69 eV, the power energy conversion e?ciency was about 7%. Our results have allowed us to discover a promising new photovoltaic material.