Addressing restructuring and degration of materials from atomistic approaches
Nuri Lopez a
a Instiute of Chemical Research of Catalonia, ICIQ
Materials for Sustainable Development Conference (MATSUS)
Proceedings of MATSUS Fall 2024 Conference (MATSUSFall24)
#PhotoDeg - Materials and devices for stable and efficient solar fuels
Lausanne, Switzerland, 2024 November 12th - 15th
Organizers: Sophia Haussener, Sandra Luber and Simone Pokrant
Invited Speaker, Nuri Lopez, presentation 310
DOI: https://doi.org/10.29363/nanoge.matsusfall.2024.310
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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