Fathoming into the dynamic interactions on Tetraaminophenylporphyrin hybrid systems via photophysical studies assisted by computational techniques and their role in dye sensitized solar cells

Abstract

Amongst the umpteen solar cells, dye sensitized solar cells by their low cost and eco-friendly nature, have a seat of their own. Photosensitizers is the pioneer component from which the entire process begins. Herein, Tetraaminophenylporphyrin hybrids in a series bearing with graphene quantum dot, 1-pyrenecarboxylic acid and perylenetetracarboxylic acid labeled as TAPP:GQD, TAPP:PCA and TAPP:PTCA were used as photosensitizers in DSSCs. Incipiently, the photophysical studies of these systems have been carried out and the feasibility of electron transfer from Tetraaminophenylporphyrin to the second component in the systems is acknowledged thereby. It is reckoned that photoinduced electron transfer with dynamic quenching mechanism is the impetus for the photophysical properties associated with TAPP:PTCA system, while it is Förster Resonance Energy Transfer in TAPP:PCA. Computational calculations with the aid of Density Functional Theory, Atoms-in-Molecules topology analysis and decomposition analysis elaborates the concept of non-covalent interactions within the hybrids. Following to that, DSSCs are fabricated and the appraised efficiencies of the devices show a pattern of TAPP:PCA > TAPP:PTCA > TAPP:GQDs. This work mainly focusses on the molecular level understanding of the electron transfer dynamics within the hybrid systems and thereby developing strategies in future for composing organic/inorganic hybrids with enhanced charge transfer ability, leading to higher efficiency.