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NICKEFFECT aims to develop novel ferromagnetic Ni-based coating materials to replace the scarce and costly Platinum and ensure high efficiency in key applications.

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Hydrogen is recognised as a clean energy carrier that could play a key role in reducing global carbon emissions. In Proton Exchange Membrane Water Electrolysers (PEM WE), the hydrogen evolution reaction (HER) takes place at the cathode, where protons from the acidic electrolyte combine with electrons to form hydrogen gas. Catalysts are essential to this process, as they reduce the activation energy required for the reaction. Noble metals such as platinum are the benchmark materials for HER catalysts due to their exceptional activity and stability. However, their scarcity and high cost limit large-scale adoption. Non-noble catalysts, including transition metal-based materials such as nickel, molybdenum, and cobalt compounds, are attractive alternatives due to their lower cost and abundance. Despite these advantages, non-noble catalysts are more susceptible to degradation under the acidic conditions of PEM WE.   The degradation of non-noble metal catalysts can arise from several processes, which often are interdependent. While the...

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Recycling as a key of material circularity and societal acceptance   Production of energy from renewable sources is one of the keys to face the ongoing environmental crisis. The intermittency of renewable energies (wind, solar) pushed the emergence of energy storage technologies and industries such as the battery industry for storage as electrical energy, or the hydrogen industry for storage as chemical energy. Hydrogen can be produced through water electrolysis during energy overproduction periods to be transported and used on a different location and time using fuel cells, and notably Proton Exchange Membrane Fuel Cells (PEMFCs). These devices can convert hydrogen back into electricity and only emit water and heat, however, they rely on the use of raw materials that are expensive and can be critical or pose environmental issues such as platinum group metals, and perfluorinated polymers. There is a necessity to guarantee the recyclability of the constitutive materials of new...

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Developing new materials involves navigating a series of complex decisions. For example:   Should the focus be on improving performance or reducing cost? How will manufacturing processes impact material properties? What trade-offs are acceptable in terms of sustainability or production timelines?   Every choice impacts the final material and its applications. Materials modelling, and in particular multiscale materials modelling, aims to improve this process by linking simulations across different scales, providing a detailed understanding of how decisions at the micro or nanoscale affect macroscopic performance. However, to be effective, modelling tools must not only generate accurate predictions but also support practical decision-making [1,2].   Requirements for Effective Multiscale Materials Modelling Frameworks   For multiscale materials modelling to enhance decision-making, the tools must address key needs [1,2]:   Integrated Modelling Across Scales: Material behaviour and property are often dominated by phenomena occurring at different scales, therefore the system should seamlessly connect models at different scales, such as atomic-level simulations,...

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