Long range push-pull based NIR switching and photovoltaic optimization as energetic offset novel study design of novel quinazoline anchoring dyes

This study investigates the photovoltaic (PV) properties, their energetic offset correlations of quinazoline-based push-pull switches. It finds an interesting correlation between their band-gaps and the rotational velocities with a linear fit value of 0.78. Also, their larger positive offsets up to 1011 by their open circuit voltage (Voc) tend to facilitated their efficient electron injection, leading to an improved photocurrent generation for device performance. Through push-pull phenomenon, a highest λmax of 574 nm was attained for the dye T5. Their PV performance of the was calculated as Voc, short circuit current (Jsc), and light harvesting efficiency (LHE) as 0.05–0.81 eV, 28.52–40.10 mA/cm2 and 0.65–0.87 respectively. Their transition density matrix (TDM) maps showed an enhancement of electron injection with the use of a more intense electron acceptor. This study advances understanding of the PV properties of quinazoline-based switches for developing PV devices. Their further research can lead to high-performance PV systems.