Graham B. Griffin
Organic semiconductors are used solar cells and as energy transferring materials. They can be separated into oligomers and polymers. In current computational studies oligomers are used to extrapolate the behavior of polymers. To do so many oligomers are created to extrapolate trends based on oligomer size. In this study a computer program was created to enable the quick and efficient production of oligomers ranging from 1 to 166 monomer units in length. The code was used to create thiophene oligomers. Through applying a linear fit, W. Khun fit and a polynomial fit excitation energy was predicted to be 2.001±0.002 eV, 2.04±0.06 eV, and 2.012±0.001 respectively. The study shows that the computer program was able to create accurate models of thiophene oligomers.
Wat, Jacob H. and Griffin, Graham
"Extrapolating the Excitation Energy of Polythiophene from Thiophene Oligomers,"
DePaul Discoveries: Vol. 8
, Article 10.
Available at: https://via.library.depaul.edu/depaul-disc/vol8/iss1/10