Virtual Screening for Organic Solar Cells and Light Emitting Diodes
Abstract The field of organic semiconductors is multifaceted and the potentially suitable molecular compounds are very diverse. Representative examples include discotic liquid crystals, dye‐sensitized solar cells, conjugated polymers, and graphene‐based low‐dimensional materials. This huge variety n...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2022-07-01
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| Series: | Advanced Science |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/advs.202200825 |
| _version_ | 1818113340009873408 |
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| author | Nancy C. Forero‐Martinez Kun‐Han Lin Kurt Kremer Denis Andrienko |
| author_facet | Nancy C. Forero‐Martinez Kun‐Han Lin Kurt Kremer Denis Andrienko |
| author_sort | Nancy C. Forero‐Martinez |
| collection | DOAJ |
| description | Abstract The field of organic semiconductors is multifaceted and the potentially suitable molecular compounds are very diverse. Representative examples include discotic liquid crystals, dye‐sensitized solar cells, conjugated polymers, and graphene‐based low‐dimensional materials. This huge variety not only represents enormous challenges for synthesis but also for theory, which aims at a comprehensive understanding and structuring of the plethora of possible compounds. Eventually computational methods should point to new, better materials, which have not yet been synthesized. In this perspective, it is shown that the answer to this question rests upon the delicate balance between computational efficiency and accuracy of the methods used in the virtual screening. To illustrate the fundamentals of virtual screening, chemical design of non‐fullerene acceptors, thermally activated delayed fluorescence emitters, and nanographenes are discussed. |
| first_indexed | 2024-12-11T03:33:16Z |
| format | Article |
| id | doaj.art-f81a1e2bf903401ba7f871d1df0d76fe |
| institution | Directory Open Access Journal |
| issn | 2198-3844 |
| language | English |
| last_indexed | 2024-12-11T03:33:16Z |
| publishDate | 2022-07-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advanced Science |
| spelling | doaj.art-f81a1e2bf903401ba7f871d1df0d76fe2022-12-22T01:22:20ZengWileyAdvanced Science2198-38442022-07-01919n/an/a10.1002/advs.202200825Virtual Screening for Organic Solar Cells and Light Emitting DiodesNancy C. Forero‐Martinez0Kun‐Han Lin1Kurt Kremer2Denis Andrienko3Max Planck Institute for Polymer Research Ackermannweg 10 Mainz 55128 GermanyMax Planck Institute for Polymer Research Ackermannweg 10 Mainz 55128 GermanyMax Planck Institute for Polymer Research Ackermannweg 10 Mainz 55128 GermanyMax Planck Institute for Polymer Research Ackermannweg 10 Mainz 55128 GermanyAbstract The field of organic semiconductors is multifaceted and the potentially suitable molecular compounds are very diverse. Representative examples include discotic liquid crystals, dye‐sensitized solar cells, conjugated polymers, and graphene‐based low‐dimensional materials. This huge variety not only represents enormous challenges for synthesis but also for theory, which aims at a comprehensive understanding and structuring of the plethora of possible compounds. Eventually computational methods should point to new, better materials, which have not yet been synthesized. In this perspective, it is shown that the answer to this question rests upon the delicate balance between computational efficiency and accuracy of the methods used in the virtual screening. To illustrate the fundamentals of virtual screening, chemical design of non‐fullerene acceptors, thermally activated delayed fluorescence emitters, and nanographenes are discussed.https://doi.org/10.1002/advs.202200825chemical designlight emitting diodesorganic electronicssolar cells |
| spellingShingle | Nancy C. Forero‐Martinez Kun‐Han Lin Kurt Kremer Denis Andrienko Virtual Screening for Organic Solar Cells and Light Emitting Diodes Advanced Science chemical design light emitting diodes organic electronics solar cells |
| title | Virtual Screening for Organic Solar Cells and Light Emitting Diodes |
| title_full | Virtual Screening for Organic Solar Cells and Light Emitting Diodes |
| title_fullStr | Virtual Screening for Organic Solar Cells and Light Emitting Diodes |
| title_full_unstemmed | Virtual Screening for Organic Solar Cells and Light Emitting Diodes |
| title_short | Virtual Screening for Organic Solar Cells and Light Emitting Diodes |
| title_sort | virtual screening for organic solar cells and light emitting diodes |
| topic | chemical design light emitting diodes organic electronics solar cells |
| url | https://doi.org/10.1002/advs.202200825 |
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