Breadcrumb
Design of Possible Organic Photovoltaic Compounds and Their Initial Computational Assessment
Presentation Year
2021
College or Department
College of Natural Resources & Sciences
Short Description of your Research or Creative Project (700 characters or less)
The excessive use of fossil fuels has surged the need for alternative energy sources, such as solar energy. Here, possible organic photovoltaic (OPV) compounds were designed and their initial computational assessment was done. Density Functional Theory was used to calculate the HOMO-LUMO gap of the 26 compounds designed. Semiconductors such as naphthalene, 1,1’-biphenyl, and ɑ-septithiophene were used as the backbone and the main electron-withdrawing group (EWG) used was thien[3,4-c] [1,2,5]thiadiazole-2-sIV(8CI,9CI), among other thieno-thiadiazole derivatives.
Does your project align with any of the following?
sustainability (explores interrelationships between environment society AND economy)
Permission to Publish Work
Yes