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Organic Overlayers Significantly Boost Hydrogen Production in Electrolyzers

Electrolyzers, which split water into hydrogen and oxygen through electrolysis, are seen as promising tools for generating clean hydrogen fuel—an essential component for future energy systems, fuel cells, and decarbonization efforts. Central to this process are hydrogen evolution reactions (HERs), but in alkaline conditions, these reactions proceed slowly, limiting the overall efficiency of electrolyzers.

Traditionally, researchers have used platinum as a catalyst for HERs due to its high activity. However, its effectiveness is hampered by hydrogen atoms binding too strongly to the platinum surface, which blocks active sites and slows the reaction.

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To address this challenge, a team of scientists from Peking University, the Beijing National Laboratory for Molecular Sciences, and other Chinese institutions has introduced a new molecular engineering approach to accelerate HERs on platinum-based electrodes. Their study, published in Nature Energy, details the use of organic overlayers—thin molecular films that adhere to electrode surfaces—to enhance hydrogen production.

“Surface modifications have long been explored to improve HER activity, but clear design principles were missing,” explained researchers Kaiyue Zhao, Ningyao Xiang, and colleagues. “Our strategy enhances HER performance in alkaline environments by as much as 50 times through the application of organic overlayers on platinum electrodes.”

These organic coatings alter the interactions at the catalyst’s surface, effectively reducing the strength of hydrogen binding and improving HER efficiency. The team experimented with different organic molecules and observed that their effect depended on factors such as binding strength, number of aromatic rings, and hydrophilicity.

Density functional theory simulations revealed that the overlayers shift the platinum’s d-band center, weakening hydrogen adsorption and preventing the overbinding that typically hinders HER. One particular molecule, 2,2′-bipyrimidine, showed significant improvements when applied to platinum/carbon (Pt/C) electrodes in a full electrolyzer setup using membrane electrode assembly (MEA) technology.

Laboratory tests confirmed that this surface modification method not only accelerated HER but also proved effective at the device level. Looking ahead, the researchers believe that their strategy could be extended beyond platinum, offering a pathway to optimize other catalysts and improve the scalability of electrolyzer systems for hydrogen production.

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