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An AI-based blueprint for designing catalysts across materials

Hydrogen peroxide is widely used in everyday life, from disinfectants and medical sterilization to environmental cleanup and manufacturing. Despite its importance, most hydrogen peroxide is still produced using large-scale industrial processes that require significant energy. Researchers are thus seeking cleaner alternatives.

A team of researchers has made a breakthrough in this regard, developing a new computational framework that helps identify effective catalysts for producing hydrogen peroxide directly from water and electricity.

The work focuses on the two-electron water oxidation reaction, an electrochemical process that can generate hydrogen peroxide in a more localized and potentially sustainable way.

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