Periodic Reporting for period 2 - DETECT (Discovering New Dual and Triple Atom Catalysts)
Berichtszeitraum: 2023-03-01 bis 2024-08-31
The DETECT project aims to uncover new insights into the catalytic behavior of dual and triple atom catalysts. For several chemical reactions – many related to securing a wider penetration of renewable energy - traditional catalysts often face limitations such as unfavorable scaling relations of intermediates, lack of selectivity, and reliance on costly and scarce precious metals. By employing catalysts consisting of only two or three atoms DETECT offers a possible route to circumvent these limitations, while also lifting the constraints of current single atom catalysts and opening the possibility of catalyzing more complex reactions that may require more than a single atom to proceed.
The project targets reactions such as electrochemical hydrogen peroxide formation, CO2 reduction to fuels and chemicals, and ammonia synthesis. The approach involves an iterative process that combines computation, synthesis, characterization, and activity testing. Dual and triple atom catalysts will be synthesized using a cluster source equipped with a time-of-flight-based mass filter. This method allows for controlled synthesis of dual and triple atom catalysts even bimetallic — an area that remains largely unexplored in catalysis. The resulting well-defined catalysts can be characterized at the atomic level, enabling direct comparison with computational predictions.
DETECT has the potential to yield more energy-efficient and selective catalysts. It could unlock catalytic pathways for so-called “Dream Reactions” that lack viable catalysts today. In the context of transitioning away from fossil fuels, new catalysts are essential for achieving widespread adoption of sustainable energy sources.
The project targets reactions such as electrochemical hydrogen peroxide formation, CO2 reduction to fuels and chemicals, and ammonia synthesis. The approach involves an iterative process that combines computation, synthesis, characterization, and activity testing. Dual and triple atom catalysts will be synthesized using a cluster source equipped with a time-of-flight-based mass filter. This method allows for controlled synthesis of dual and triple atom catalysts even bimetallic — an area that remains largely unexplored in catalysis. The resulting well-defined catalysts can be characterized at the atomic level, enabling direct comparison with computational predictions.
DETECT has the potential to yield more energy-efficient and selective catalysts. It could unlock catalytic pathways for so-called “Dream Reactions” that lack viable catalysts today. In the context of transitioning away from fossil fuels, new catalysts are essential for achieving widespread adoption of sustainable energy sources.
The main work so far has been focused on establish a synthesis routine where the dual and triple atoms catalysts are produced in the cluster source and deposited onto a suitable support that anchors the catalysts to improve stability against sintering or dissolution in the electrolyte and at the same time allows for characterizing the sample with atomic resolution. The initial support of choice has been highly oriented pyrolytic graphite (HOPG) with nitrogen-defects created by sputtering of the surface with either ammonia or nitrogen. We have established that we can introduce nitrogen-defect sites into the graphite surface. Using scanning tunneling microscopy we can identify and quantify the defects. Unfortunately, our STM broke beyond repair, but a new STM have been acquired. Along the experimental work many insights have been gained and related to the field in two published publications.
We cannot yet claim to have made beyond-state-of-the-art publication. Our process has been hampered by the lack of an STM, but with the arrival of a new STM and newly constructed new capabilities for sample heating, temperature programmed desorption and high-pressure reaction cell, we expect beyond-state-of-the-art results in the near future.