Photoactive layer based on T-shaped benzimidazole dyes used for solar cell: from photoelectric properties to molecular design.

ABSTRACT: Three benzimidazole-based organic dyes, possessing the same triphenylamine donors and cyanoacrylic acid acceptors with the bithiophene π-bridges combined in different nuclear positions of benzimidazole, were investigated in the utility of dye-sensitizer solar cells. The structure, molecular orbital and energy, absorption spectra and some important parameters (such as light harvesting efficiency (LHE), electron injection driving force, the electron injection time, chemical reactivity parameters, vertical dipole moment as well as interaction models of dye-I₂) were obtained according to Newns-Anderson model and DFT calculation. The process and strength of charge transfer and separation were visualized with charge different density and index of spatial extent (S, D and Δq). Current

SUBMITTER: Xu B 

PROVIDER: S-EPMC5368572 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature