Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , SDS of cas: 7598-35-8, 7598-35-8, Name is 2-Bromopyridin-4-amine, molecular formula is C5H5BrN2, belongs to pyridine-derivatives compound. In a document, author is Khalid, Amna, introduce the new discover.
Designing benzothiadiazole based non-fullerene acceptors with high open circuit voltage and higher LUMO level to increase the efficiency of organic solar cells
Non-fullerene acceptors have been widely used to fabricate the organic solar cells (OSCs) with enhanced photovoltaic efficiency owing to their superior and valuable properties over fullerene acceptors. In this regard, an effort has been made to design four new (A2-pi-A1-pi-A2) type acceptor molecules (MOL1 , MOL2 , MOL3 , and MOL4) to study their optoelectronic properties and their application in improving the efficiency of OSCs. These designed molecules contain benzothiadiazole (BT) core unit which has been bridged up through (E)-2-(prop-1-enyl)thiophene with four different end capped acceptors namely 2-((5-vinylthiophen-2-yl)methylene)malononitrile (MOL1), methyl 2-cyanoacrylate (MOL2), 3-methyl-5-methylenethiazolidine-2,4-dione (MOL3), 4-vinyl- [1,2,5]thiadiazolo[3,4-c]pyridine (MOL4). Using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) optoelectronic properties have been analyzed and compared with renowned reference 4,7-bis(4-(N-hexyl-phthalimide)vinyl) benzo[c]1,2,5-thiadiazole (PI-BT as RCAM). Appropriate frontier molecular orbitals (FMO) diagrams for each molecule have been drawn to study charge transfer. Amongst all four molecules, MOL1 with narrow bandgap is the best red-shifted compared to RCAM (545.02 nm). Furthermore, exciton binding energy, electron and hole mobility is theoretically calculated. Results showed the MOL4 with the highest VOC (3.35 V) and lowest Eb for best device efficiency. Electron and hole mobility calculations predicted these designed molecules to be better hole transporters compared to RCAM. Owing to their remarkable results these designed acceptor molecules are counted in to enhance the performance and efficiency of devices.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 7598-35-8. SDS of cas: 7598-35-8.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem