Is DFT enough? Towards accurate high-throughput computational screening of azobenzenes for molecular solar thermal applications
We present an accurate and efficient screening protocol for azobenzene derivatives for Molecular Solar Thermal (MOST) applications based on ground state properties.
Authors
- Flavia Aleotti (ORCID: https://orcid.org/0000-0002-7176-5305)
- Elisabetta Canè (ORCID: https://orcid.org/0000-0002-1811-7915)
- Lorenzo Soprani (ORCID: https://orcid.org/0000-0002-7127-2770)
- Silvia Orlandi (ORCID: https://orcid.org/0000-0001-9201-9398)
- Luca Muccioli (ORCID: https://orcid.org/0000-0001-9227-1059)
- Marco Garavelli (ORCID: https://orcid.org/0000-0002-0796-289X)
- Francesco Calcagno (ORCID: https://orcid.org/0000-0002-0986-4425)
- Lucas F. Rodríguez-Almeida (ORCID: https://orcid.org/0000-0002-9785-703X)
- Ivan Rivalta (ORCID: https://orcid.org/0000-0002-1208-602X)
- Irene Conti (ORCID: https://orcid.org/0000-0001-7982-4480)
- Fabio Loprete (ORCID: https://orcid.org/0009-0003-4883-0716)
Institutions
- University of Bologna (IT)
Publication Details
- Journal
- Molecular Systems Design & Engineering
- Published
- 2024-12-11
- DOI
- https://doi.org/10.1039/d4me00183d
- Citations
- 3
- Primary Topic
- Organic Electronics and Photovoltaics
- Type
- article
- Field-Weighted Citation Impact
- 0.63