Azafluorene Ornamented Thiazine Based Novel Fused Heterocyclic Organic Dyes for Competent Molecular Photovoltaics

Described herein is a series of azafluorene ornamented thiazine based novel fused heterocyclic organic dyes TBCPCA-1, TBCPCA-2, TBTCPCA-1 and TBTCPCA-2. Nanocrystalline titania based DSSC performance along with photophysical/electrochemical behaviors of the aforementioned dyes have been examined. Utilizing computational approach, distribution of electrons within the molecules has been explored. The devices possessing the novel fused dyes TBCPCA-1, TBCPCA-2, TBTCPCA-1 and TBTCPCA-2 as sensitizers exhibited overall power conversion efficiency range between 6.17?¡Ó?0.4 and 7.97?¡Ó?0.3%. The novel fused heterocyclic organic dyes featuring di-tert-butylazafluorene structural motif such as TBCPCA-1 and TBCPCA-2 exhibit higher power conversion efficiency than the ones carrying sterically congested tetra-tert-butyl-tri(azafluorene) scaffold viz., TBTCPCA-1 and TBTCPCA-2. Amongst the devices fabricated with the utilization of novel heterocyclic dyes as sensitizers, the device possessing the dye TBCPCA-2 as sensitizer displayed the highest power conversion efficiency of 7.97?¡Ó?0.3% along with a Voc of 745?¡Ó?0.6?mV, a Jsc of 16.92?¡Ó?0.3?mA.cm?2 and a ff of 0.67?¡Ó?0.003. ? 2017 Elsevier Ltd