Proceedings of MATSUS Spring 2024 Conference (MATSUS24)
Publication date: 18th December 2023
Singlet fission is a photophysical phenomenon, which has the potential to double the efficiency of the solar cells [1]. However, there is a major obstacle on the road toward singlet fission based solar cell technologies – the number of known materials able to undergo singlet fission is relatively limited. This is a consequence of the following problems related to singlet fission materials: 1) they should satisfy a long list of requirements, so they are inherently rare, 2) their experimental characterization is not trivial, 3) their modelling with low cost computational methods like density functional theory is questionable.
Our approach to overcome the above mentioned impediments is the development of statistical models able to find new singlet fission chromophores within large general purpose databases of existing compounds or among newly designed sets of molecules. Here, we demonstrate two models, which rely on efficient combination of quantum chemical calculations and machine learning approaches. The first one is a classification model, which is able to predict potential singlet fission chromophores based on their diradical character. This model is trained with more than 500 000 compounds and makes predictions in seconds [2]. It is implemented in a web application for users convenience. The second one is a regression model, which can predict the feasibility conditions for singlet fission. This model is trained with about 40 molecules and can quickly map DFT excited states data to theoretical estimations obtained with computationally demanding multiconfigurational methods.
The authors acknowledge the financial support of the Bulgarian National Science Fund, contract KP-06-H39/2/2019
nanoGe is a prestigious brand of successful science conferences that are developed along the year in different areas of the world since 2009. Our worldwide conferences cover cutting-edge materials topics like perovskite solar cells, photovoltaics, optoelectronics, solar fuel conversion, surface science, catalysis and two-dimensional materials, among many others.
Previously nanoGe Spring Meeting (NSM) and nanoGe Fall Meeting (NFM), MATSUS is a multiple symposia conference focused on a broad set of topics of advanced materials preparation, their fundamental properties, and their applications, in fields such as renewable energy, photovoltaics, lighting, semiconductor quantum dots, 2-D materials synthesis, charge carriers dynamics, microscopy and spectroscopy semiconductors fundamentals, etc.
International Conference on Hybrid and Organic Photovoltaics
International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.
Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics
The main topics of the Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP) are discussed every year in Asia-Pacific for gathering the recent advances in the fields of material preparation, modeling and fabrication of perovskite and hybrid and organic materials. Photovoltaic devices are analyzed from fundamental physics and materials properties to a broad set of applications. The conference also covers the developments of perovskite optoelectronics, including light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.
The International Conference on Perovskite Thin Film Photovoltaics Perovskite Photonics and Optoelectronics (NIPHO) is the best place to hear the latest developments in perovskite solar cells as well as on recent advances in the fields of perovskite light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.