Electrical, photodiode, and DFT studies of newly synthesized pi-conjugated BODIPY dye-based Au/BOD-Dim/n-Si device

Abstract

A pi-conjugated 4,4-difluoro-4- bora-3a,4a-diaza-s-indacene (BODIPY) dimer (BOD-Dim) compound has been synthesized and characterized. The optimized molecular structure, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) simulations, and static isotropic polarizability of the isolated compound were computed via the Gaussian program. The simulated static dielectric constant value was calculated. The effect of the BOD-Dim interlayer on the diode characteristics of the Au/n-Si diode was investigated. The electrical and photovoltaic parameters of the Au/BOD-Dim/n-Si/In diode such as ideality factor (n), barrier height (phi B), open-circuit voltage (Voc), short-circuit current (Jsc), photosensitivity (S), and photoresponsivity (R) have been investigated by current-voltage measurements at dark and under various illumination intensities. The possible current conduction mechanism has been examined through the forward bias ln (IF)-ln(VF) and ln(IR)-VR1/2 characteristics. All obtained results confirmed that Au/BOD-Dim/n-Si/In diode exhibits a photovoltaic behavior and presents great potential as a photosensor for optoelectronic device applications.