Design and Tuning of Photoswitches for Solar Energy Storage
Current energy demand makes it compulsory to explore alternative energy sources beyond fossil fuels. Molecular solar thermal (MOST) systems have been proposed as a suitable technology for the use and storage of solar energy. Compounds used for this application need to fulfil a long series of require...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-06-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/26/13/3796 |
| _version_ | 1827689100931497984 |
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| author | Raul Losantos Diego Sampedro |
| author_facet | Raul Losantos Diego Sampedro |
| author_sort | Raul Losantos |
| collection | DOAJ |
| description | Current energy demand makes it compulsory to explore alternative energy sources beyond fossil fuels. Molecular solar thermal (MOST) systems have been proposed as a suitable technology for the use and storage of solar energy. Compounds used for this application need to fulfil a long series of requirements, being the absorption of sunlight and the energy stored some of the most critical. In this paper, we study different families of well-known molecular photoswitches from the point of view of their potential use as MOST. Starting from basic structures, we use density functional theory (DFT) computational modelling to propose two different strategies to increase the energy difference between isomers and to tune the absorption spectrum. The inclusion of a mechanical lock in the structure, via an alkyl chain and the presence of a hydrogen bonding are shown to directly influence the energy difference and the absorption spectra. Results shown here prove that these two approaches could be relevant for the design of new compounds with improved performance for MOST applications. |
| first_indexed | 2024-03-10T10:11:05Z |
| format | Article |
| id | doaj.art-d2222e0bd6cb4ad69c8221519de7f49c |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T10:11:05Z |
| publishDate | 2021-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-d2222e0bd6cb4ad69c8221519de7f49c2023-11-22T01:12:18ZengMDPI AGMolecules1420-30492021-06-012613379610.3390/molecules26133796Design and Tuning of Photoswitches for Solar Energy StorageRaul Losantos0Diego Sampedro1Departamento de Química, Centro de Investigación en Síntesis Química (CISQ), Universidad de La Rioja, Madre de Dios, 53, 26006 Logroño, La Rioja, SpainDepartamento de Química, Centro de Investigación en Síntesis Química (CISQ), Universidad de La Rioja, Madre de Dios, 53, 26006 Logroño, La Rioja, SpainCurrent energy demand makes it compulsory to explore alternative energy sources beyond fossil fuels. Molecular solar thermal (MOST) systems have been proposed as a suitable technology for the use and storage of solar energy. Compounds used for this application need to fulfil a long series of requirements, being the absorption of sunlight and the energy stored some of the most critical. In this paper, we study different families of well-known molecular photoswitches from the point of view of their potential use as MOST. Starting from basic structures, we use density functional theory (DFT) computational modelling to propose two different strategies to increase the energy difference between isomers and to tune the absorption spectrum. The inclusion of a mechanical lock in the structure, via an alkyl chain and the presence of a hydrogen bonding are shown to directly influence the energy difference and the absorption spectra. Results shown here prove that these two approaches could be relevant for the design of new compounds with improved performance for MOST applications.https://www.mdpi.com/1420-3049/26/13/3796energy storageMOSTcomputational designphotoswitches |
| spellingShingle | Raul Losantos Diego Sampedro Design and Tuning of Photoswitches for Solar Energy Storage Molecules energy storage MOST computational design photoswitches |
| title | Design and Tuning of Photoswitches for Solar Energy Storage |
| title_full | Design and Tuning of Photoswitches for Solar Energy Storage |
| title_fullStr | Design and Tuning of Photoswitches for Solar Energy Storage |
| title_full_unstemmed | Design and Tuning of Photoswitches for Solar Energy Storage |
| title_short | Design and Tuning of Photoswitches for Solar Energy Storage |
| title_sort | design and tuning of photoswitches for solar energy storage |
| topic | energy storage MOST computational design photoswitches |
| url | https://www.mdpi.com/1420-3049/26/13/3796 |
| work_keys_str_mv | AT raullosantos designandtuningofphotoswitchesforsolarenergystorage AT diegosampedro designandtuningofphotoswitchesforsolarenergystorage |