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A comprehensive study: Theoretical and experimental investigation of heteroatom and substituent effects on frontier orbitals and polymer solar cell performances
Authors:Sevki Can Cevher  Gonul Hizalan  Eda Alemdar Yilmaz  Duygu Cevher  Yasemin Udum Arslan  Levent Toppare  Erol Y?ld?r?m  Ali Cirpan
Institution:1. Department of Chemistry, Middle East Technical University, Ankara, Turkey;2. The Center for Solar Energy Research and Application (GUNAM), Middle East Technical University, Ankara, Turkey;3. Department of Polymer Science and Technology, Middle East Technical University, Ankara, Turkey;4. Technical Sciences Vocational Schools, Gazi University, Ankara, Turkey;5. Department of Chemistry, Middle East Technical University, Ankara, Turkey

The Center for Solar Energy Research and Application (GUNAM), Middle East Technical University, Ankara, Turkey

Department of Polymer Science and Technology, Middle East Technical University, Ankara, Turkey

Department of Biotechnology, Middle East Technical University, Ankara, Turkey;6. Department of Chemistry, Middle East Technical University, Ankara, Turkey

Department of Polymer Science and Technology, Middle East Technical University, Ankara, Turkey

Department of Micro and Nanotechnology, Middle East Technical University, Ankara, Turkey

Abstract:
Keywords:benzochalcogendiazole  frontier orbital engineering  polymer solar cells  substituent effect  theoretical chemistry
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