white paper

This white paper includes a detailed analysis of alloy catalysts datasets synthesized with VSParticle technology for Meta's Open Catalyst Experiments 2024. The project aims to create one of the largest open-source datasets available for catalyst materials to combat climate change.

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White paper executive summary

The challenge: reducing CO₂ emissions: The increasing anthropogenic carbon dioxide emissions (CO₂) have a huge environmental impact which is why there is a strong surge for CO₂ emission reduction. 

The solution: innovative technologies for CO₂ utilization: Recently, CO₂ electrolysis has attracted much attention because the process can effectively mitigate CO₂ emissions and simultaneously produce high-value-added chemicals and fuels. 

Key roadblocks in implementing CO₂ technologies: The catalysts play a very important role in achieving high efficiency of converting CO₂ to desired product. As one promising alternative, the alloy catalysts have demonstrated high performance in CO₂ hydrogenation. However, major bottlenecks remain in terms of selectivity, efficiency, and stability of these catalysts.  A primary challenge lies in the rapid development and scalability of alloy catalysts, which are essential for meeting industrial demands. These foundational challenges have so far limited the successful development of fully effective catalysts for CO₂ conversion at scale.

Overcoming challenges with VSParticle Technology: This paper addresses this challenge by introducing VSParticle technology that offers a fast, automated, and scalable approach to synthesize a diverse range of alloy catalyst materials with various material combinations and ratio. The technology can produce high-quality, large experimental datasets – an area where conventional wet chemistry methods fall short. These datasets were used by Meta to train AI models to predict which material combinations might be most effective for key processes and can help researchers identify the most promising candidates to take forward further development.

 

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