a 3D modeling approach

Funding Information: This work received funding from FCT (Fundação para a Ciência e Tecnologia, I.P.) under the projects LA/P/0037/2020, UIDP/50025/2020 and UIDB/50025/2020 of the Associate Laboratory Institute of Nanostructures, Nanomodelling and Nanofabrication—i3N, and by the project CO2RED (DOI 10.54499/PTDC/EQU-EPQ/2195/2021). The work was also supported by the project M-ECO2—Industrial cluster for advanced biofuel production, Ref. C644930471-00000041, co-financed by PRR—Recovery and Resilience Plan of the European Union (Next Generation EU). The authors also acknowledge funding from the European Union via the projects X-STREAM (Horizon EU, ERC CoG, No. 101124803 DOI: https://doi.org/10.3030/101124803) and SolarWay (HORIZON-MSCA-2023-PF-01, No. 101148726 DOI: https://doi.org/10.3030/101148726). Publisher Copyright: © 2025 The Author(s). Published by IOP Publishing Ltd.