Computational study on optoelectronic property tuning of oligothiophenes via chemical modifications for solar cell applications

• Main Author: Franco, Francisco C., Jr.
• Format: text
• Published: Animo Repository 2018
• Subjects: Conjugated polymers; Computational chemistry; Organic photovoltaic cells; Chemistry
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/2889
• Institution: De La Salle University

Chemical modifications in conjugated polymers offers the possibility of tuning its optoelectronic properties for various applications. In this report, the optoelectronic properties of chemically modified oligomers based on poly(3-hexylthiophene-2,5-diyl) (P3HT) were investigated via DFT and TDDFT. T...