Published November 10, 2020 | Version v1
Dataset Open

Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells

Authors/Creators

  • 1. Laboratory of Photonics and Interfaces, ÉcolePolytechnique Fédérale de Lausanne, Lausanne 1015,Switzerland; Department of Chemical Engineering, NationalTsing Hua University, Hsinchu 300, Taiwan
  • 2. Laboratory of Photonics andInterfaces and Laboratory of Photomolecular Science, Instituteof Chemical Sciences and Engineering, École PolytechniqueFédérale de Lausanne, Lausanne 1015, Switzerland
  • 3. Laboratory of Magnetic Resonance, Instituteof Chemical Sciences and Engineering, École PolytechniqueFédérale de Lausanne, Lausanne 1015, Switzerland;
  • 4. Laboratory of ComputationalChemistry and Biochemistry,, École Polytechnique Fédérale deLausanne, Lausanne 1015, Switzerland
  • 5. Laboratory of Photonics and Interfaces, ÉcolePolytechnique Fédérale de Lausanne, Lausanne 1015,Switzerland
  • 6. Laboratory of Magnetic Resonance, Institute ofChemical Sciences and Engineering, École PolytechniqueFédérale de Lausanne, Lausanne 1015, Switzerland
  • 7. Laboratory of Molecular Engineering ofOptoelectronic Nanomaterials, Institute of Chemical Sciencesand Engineering, École Polytechnique Fédérale de Lausanne(EPFL), Lausanne 1015, Switzerland;
  • 8. Laboratory of Photomolecular Science,Institute of Chemical Sciences and Engineering, ÉcolePolytechnique Fédérale de Lausanne, Lausanne 1015,Switzerland
  • 9. Laboratory of Photonics and Interfaces,École Polytechnique Fédérale de Lausanne, Lausanne 1015,Switzerland
  • 10. Department of Chemical Engineering,National Tsing Hua University, Hsinchu 300, Taiwan;
  • 11. Advanced Photon Source, Argonne NationalLaboratory, Lemont, Illinois 60439, United States
  • 12. Materials Science Division and Centerfor Molecular Engineering, Argonne National Laboratory,Lemont, Illinois 60439, United States
  • 13. Institute of Chemical Sciences andEngineering, École Polytechnique Fédérale de Lausanne, CH-1951 Sion, Switzerland
  • 14. Laboratory of Photonics andInterfaces, École Polytechnique Fédérale de Lausanne, Lausanne 1015, Switzerland
  • 15. Laboratory of Photonics and Interfaces, ÉcolePolytechnique Fédérale de Lausanne, Lausanne 1015,Switzerland;
  • 16. Laboratory of Photomolecular Science,Institute of Chemical Sciences and Engineering, ÉcolePolytechnique Fédérale de Lausanne, Lausanne 1015,Switzerland;
  • 17. Laboratory of ComputationalChemistry and Biochemistry,, École Polytechnique Fédérale deLausanne, Lausanne 1015, Switzerland;

Description

Raw data corresponding to the publication entitled: "Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells" including:

- projected densities of states for all the simulated slabs (pristine, defective, modulated)

- isosurfaces of HOMO and LUMO levels for all the simulated slabs

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