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

• المؤلف الرئيسي: Franco, Francisco C., Jr.
• التنسيق: text
• منشور في: Animo Repository 2018
• الموضوعات: Conjugated polymers; Computational chemistry; Organic photovoltaic cells; Chemistry
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/2889
• المؤسسة: 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...