Publication date: 28th August 2024
In most photo-electrochemical devices the kinetic phenomena does not only imply the reactions we are aiming at but also some others that are linked to the dynamics of the material acting as catalysts. Some of them are positive for the performance of the material increasing the number or improving the nature of active sites. Still, some others are detrimental for the system and can cause failure. In the talk I will address what can we do from the point of view of atomistic simulations to start understanding this phenomena so that we can control the nature and prolong the stability of the active sites under true reaction conditions. I will elaborate on the gaps in our understanding and the role of accelerators to investigate this long-term effects in the active materials. Finally, I will indicate the most relevant challenges in the field highlighting what is needed to progress further in this area.
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