چكيده لاتين
Organic semiconductors have been studied due to potential applications in various technologies,such as organic lightemitting diodes, organic photovoltaics, andother optical waveguide devices. Among all the applications, organic solar cells have received much attention and are consideredinteresting alternatives for inorganic-based solar cells. Different types of organic molecules have beenused as organic semiconductors, including polymers andsmall donor-acceptor (D-A) architectures connected by a π-conjugated bridge.However,despite many advantages, such as light weight, good flexibility,excellent tunability, low cost, and low-level environmentalpollution, the efficiency of organic semiconductors has been relatively lower than thesemiconductors based on inorganic materials. Accordingly,design and synthetic strategies have been put forward fortailoring organic semiconductorstoward specific functionality.On the basis of the newly synthesized small molecules for Organic solar cells, several small molecules that can be used as organic semiconducting materials were theoretically designed. Wehave shown that these novel molecules with the donor-π conjugated bridge-acceptor (D-π-A) building block exhibit superior charge transport properties in organic solar cells.A variety of donors, π-bridges, and acceptors are examined, and the structural, electronic, optical, and charge transport properties of designedsemiconductors are systematically investigated.For the suggested semiconductors, the smallelectron reorganization energy and large intramolecular coupling originating from dense π-stacking gave rise to enhancedcharge mobility. This strategy can be helpful for further improving the performance of organic small molecules in photovoltaic devices.
