التفاصيل البيبلوغرافية
| العنوان: |
On the Interplay between Molecular Packing and Optical Response in Thin Films for Organic Photovoltaics |
| المؤلفون: |
Michele Turelli (11141031), Gianluca Lattanzi (209128), Ilaria Ciofini (1294008), Carlo Adamo (1268928) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Biochemistry, Microbiology, Molecular Biology, Biotechnology, Evolutionary Biology, Immunology, Developmental Biology, Cancer, Inorganic Chemistry, Infectious Diseases, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, building blocks, Optical Response, Molecular Packing, power conversion enhancement, film experiences, macroscopic thin-film morphology, absorption spectrum, reorganization, small-molecule donor, Thin Films, Organic Photovoltaics Limited control |
| الوصف: |
Limited control over the complex morphology exhibited by organic materials in the solid phase constitutes one of the greatest challenges to power conversion enhancement in the field of organic photovoltaics. Often, this problem is made worse by the molecular architecture of the building blocks engineered with complex structures that make the mechanisms of self-organization less straightforward and less efficient. Here, we present the computational study of a small-molecule donor with a simple architecture whose absorption spectrum in thin film experiences a dramatic change upon thermal treatment. In our present study, this change is rationalized in terms of reorganization of the molecular packing within the film. This reorganization is described in its microscopic details: the results of our simulations provide a plausible picture of the macroscopic thin-film morphology, thus offering valuable hints on how to improve the control of morphology in molecular solids. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/journal_contribution/On_the_Interplay_between_Molecular_Packing_and_Optical_Response_in_Thin_Films_for_Organic_Photovoltaics/14989986 |
| DOI: |
10.1021/acs.jpcc.1c03998.s001 |
| الاتاحة: |
https://doi.org/10.1021/acs.jpcc.1c03998.s001 |
| Rights: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.1C43E764 |
| قاعدة البيانات: |
BASE |