Non-orthogonal Configuration Interaction Study on the Effect of Thermal Distortions on the Singlet Fission Process in Photoexcited Pure and B,N-Doped Pentacene Crystals

[Image: see text] The present computational work analyzes singlet fission (SF) as a pathway for multiplication of photogenerated excitons in crystalline polyacenes. Our study explores the well-known crystalline pentacene (C(22)H(14)) and the prospective and potentially interesting doped B,N-pentacen...

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Detalles Bibliográficos
Autores principales: López, Xavier, Straatsma, Tjerk P., Sánchez-Mansilla, Aitor, de Graaf, Coen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10552079/
https://www.ncbi.nlm.nih.gov/pubmed/37811311
http://dx.doi.org/10.1021/acs.jpcc.3c02083

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10552079/
https://www.ncbi.nlm.nih.gov/pubmed/37811311
http://dx.doi.org/10.1021/acs.jpcc.3c02083

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