Quantum Chemical Calculations of Side-Group Stacking and Electronic Properties in Thiophene-Quinoxaline Polymers
Organic bulk heterojunction (BHJ) solar cells offer a viable source of solar energy. Structural organization is crucial in BHJ cells but hard to achieve and assess due to limitations in experimental methodology. Quantum chemical methods have here been used to gain further insight into the geometric and optical properties of a promising light-harvesting polymer, poly[2,3-bis(3-octyloxyphenyl)quinox