CORDIS Project
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This project explores the hydrogen evolution reaction using organic molecules as cost-effective catalysts. By applying advanced computational methods and machine learning, it aims to understand the reaction mechanisms and identify efficient molecular catalysts for sustainable hydrogen energy production.
The electrocatalytic hydrogen evolution reaction (HER) plays an important role in sustainable hydrogen energy conversion.
Organic molecules, as potential alternatives to expensive Pt-based metals, can significantly reduce the cost of catalysts.
However, the HER mechanism of organic molecules in aqueous solutions is poorly understood.
The unclear structure-mechanism relationship hinders the discovery of efficient molecular catalysts.
This project systematically investigates the HER mechanism of…
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