Publication date: Dec 01, 2021
Singlet fission (SF) is a promising multiexciton-generating process. Its demanding energy splitting criterion - that the S1 energy must be at least twice that of T1 - has limited the range of materials capable of SF. We propose heteroatom oxidation as a robust strategy to achieve sufficient S1/T1 splitting, and demonstrate the potential of this approach for intramolecular SF.
No Explore or Discover sections associated with this archive record.
File name | Size | Description |
---|---|---|
relevant_dimer_data.csv
MD5md5:bcfde31e1c08f5defa71b01073c0d57d
|
117.7 KiB | Summary of all data for donor-acceptor dimers |
relevant_monomer_data.csv
MD5md5:8192479718e2632ed61f5b881f81826d
|
5.9 KiB | Summary of all data for non-oxidized and oxidized building blocks |
README
MD5md5:d6d6f2bd8fae024d75b65f468d84448e
|
4.0 KiB | Readme file with information on the database folder and contents of csv files |
ALL_DATA_SF_paper_3.tar.bz2
MD5md5:682b777c569f537d4ec231a2d38df603
|
464.2 MiB | Compressed folder containing all computations reported in the paper |
2021.204 (version v1) [This version] | Dec 01, 2021 | DOI10.24435/materialscloud:m1-dg |