1. Helmholtz‐Zentrum Berlin für Materialien und Energie Kekuléstraße 5 12489 Berlin Germany
2. Computational Laboratory for Hybrid/Organic PhotovoltaicIstituto CNR di Scienze e Tecnologie Molecolari (ISTM‐CNR) Via Elce di Sotto 8 06123 Perugia Italy
3. Institute for Physics and AstronomyUniversity of Potsdam Karl‐Liebknecht‐Straße 24−25 14476 Potsdam‐Golm Germany
4. D3‐CompuNetIstituto Italiano di Tecnologia Via Morego 30 16163 Genova Italy
5. Department of ChemistryBiology and BiotechnologyUniversity of Perugia Via Elce di Sotto 8 06123 Perugia Italy
6. Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh)Politecnico di Bari Via Orabona 4 70125 Bari Italy
7. CNR‐NANOTECIstituto di Nanotecnologiac/o Campus EcotekneUniversità del Salento Via Monteroni 73100 Lecce Italy
8. Department of ChemicalMaterials and Production EngineeringUniversity of Naples Federioco II Piazzale Tecchio 80 80125 Fuorigrotta Italy
9. State Key Laboratory of Photocatalysis on Energy and EnvironmentInstitute of Advanced Energy MaterialsFuzhou University Fuzhou Fujian 350002 China