Thermoelectricity in metal-organic perovskites: recycling waste energy heat as electricity

Informazioni relative al progetto

THERMOH

ID dell’accordo di sovvenzione: 101018714

DOI

10.3030/101018714

Progetto chiuso

Data della firma CE 22 Aprile 2021

Data di avvio 1 Gennaio 2022

Data di completamento 31 Dicembre 2023

Finanziato da

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Costo totale

€ 191 149,44

Contributo UE

€ 191 149,44

Coordinato da

ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE
Switzerland

Periodic Reporting for period 1 - THERMOH (Thermoelectricity in metal-organic perovskites: recycling waste energy heat as electricity)

Periodo di rendicontazione: 2022-01-01 al 2023-12-31

Sintesi del contesto e degli obiettivi generali del progetto

The project focuses on metal halide perovskites, with particular attention to lead-free compounds: a promising eco-friendly alternative for energy harvesting technologies, particularly in solar cells. Metal halide perovskites exhibit polymorphism with different phases coexisting at room temperature. The research delves into the thermodynamic stability between different structures, utilizing first-principles thermodynamics and exploring phase transitions. This research addresses the broader issue of sustainable and efficient energy solutions, emphasizing the importance of metal halide perovskites in achieving these goals. The overall objective is to understand and improve these materials' mechanical stability and practical deployment, contributing to the advancement of eco-friendly energy technologies, analyzing their thermal properties for potential application as thermoelectric devices.

Lavoro eseguito dall’inizio del progetto fino alla fine del periodo coperto dalla relazione e principali risultati finora ottenuti

Throughout the project, we focused on enhancing the theoretical understanding of CsSnI3, a metal halide perovskite. A significant breakthrough was achieved with the development of a novel method that integrates long-range interactions within machine learning force fields. This advancement was pivotal in accurately modeling the material's behavior. The research, as detailed in the paper, provided deeper insights into the polymorphism and thermodynamic stability of CsSnI3. These findings are vital for exploring its potential in eco-friendly solar cell applications. The results, emphasizing the importance of sustainable energy solutions, were disseminated at various scientific events, including Psi-K 2022, APS March Meeting 2023, Total Energy and Forces International Workshop, and the Advanced School on Quantum Espresso in Pavia, showcasing the project's significant progress and impact in the field of energy materials.

Progressi oltre lo stato dell’arte e potenziale impatto previsto (incluso l’impatto socioeconomico e le implicazioni sociali più ampie del progetto fino ad ora)

The project represents a significant advancement beyond the current state of the art in the field of energy materials. By developing a novel method that integrates long-range interactions within machine learning force fields for CsSnI3, it has opened new avenues for accurately simulating and understanding metal halide perovskites. The expected results by the end of the project include a comprehensive understanding of CsSnI3's properties and its potential application in eco-friendly solar cells. This research has substantial socio-economic impacts, offering a sustainable alternative for energy production. The wider societal implications include promoting environmental conservation and influencing future research and development in renewable energy technologies.

A representation of the thermal fluctuations in metal halide perovskites (CsSnI3)