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HEIndividual fellowship2023–2025

ULTRA-2DPK · Ultrafast physics in 2D halide perovskites for applications in optoelectronic devices

Horizon Europe — Marie Skłodowska-Curie Actions

Duration
2023-05-01 → 2025-04-30
EU contribution
€211,755
Participants
1
Scheme
HORIZON-TMA-MSCA-PF-EF

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Results in brief

Ultrafast physics in 2D halide perovskites for applications in optoelectronic devices

In this project, we investigated some of the fundamental mechanisms that determine the power conversion efficiencies of halide perovskites to facilitate the optimization of perovskite-based optoelectronic devices. The key scientific outcomes were: (i) a new computational code and approach to anharmonic electron-phonon coupling with extensions to nonequilibrium dynamics, (ii) the support of experimental discovery of new layered halide perovskites and heterostructures, and the calculation of their optoelectronic and vibraitonal properties, (iii) the generation of a database of locally disordered perovskite structures to support future first-principles machine-learning driven approaches. This project was carried out by Dr. Marios Zacharias (MZ) in the FOTON institute, hosted at INSA Rennes, under the supervision of Prof. Jacky Even (JE). Another key outcome was the professional maturity and enhancement of competences and skills of MZ to proceed to his career’s next step and secure a tenure track position as an Assistant Professor at the Cyprus Institute, an EU research organization. The scientific results of the project contributed to accelerate research on the emerging perovskite solar cells, which feature reduced fabrication costs and high power conversion efficiencies. The project untoubly boosted the central role of Europe in renewable energy transformation, supporting future applications in the photovoltaics industry, and in general, optoelectronics, and the creation of a low-carbon economy by 2050. The computational code, data, and more than 10 scientific publications are all available in open-source platforms. MZ and JE also participated to international conferences and workshops to disseminate the results of this project, as well as uploaded videos and posts on social media platforms to support the rapid dissemination of the project's outcomes.

Data: CORDIS, © European Union

Project objective

ULTRA-2DPK aims to elucidate the fundamental limitations in the power conversion efficiencies (PCEs) of two-dimensional (2D) halide perovskites (PKs), guide the optimization of 2DPK and 2DPK/3DPK solar cell devices, and further promote their development for industrial applications. The increasing demand for clean energy technologies in Europe dictates the search for optoelectronic devices with reduced fabrication costs and high PCEs. 2DPKs provide promising pathways for developing stable next-generation optoelectronics, including solar cells, light-emitting diodes, and lasing devices. In principle, understanding the physical mechanisms underpinning the transient electron flows and atomic motion in 2DPK-based devices can lead to unprecedented improvements in their PCEs. To this aim, experiments based on ultrafast pump-probe spectroscopy are making excellent progress. However, computational strategies to interpret the complex nonequilibrium phenomena manifested in this type of measurements are still lacking. In this fellowship, a novel first-principles methodology, that takes entirely into account electron-phonon and anharmonic dynamics will be developed. The recent advances in electronic structure and many-body theory approaches will be combined to study thermal equilibrium and nonequilibrium optoelectronic properties of 2DPKs with increasing layer thickness. ULTRA-2DPK also focuses on the transfer of knowledge of the experienced researcher in finite-temperature many-body approaches to the host institute, as well as the enhancement of his soft and research skills that will enable him to become a leading figure in his field. The objectives of the present project match perfectly with the European Union targets of a sustainable solar energy ecosystem, as well as the development of modern and low-cost optoelectronic technologies.

Original text from CORDIS.

Participants

  • INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE RENNES · Rennes Cedex 7CoordinatorFrance

Links

Data: CORDIS, © European Union