Nano-Confinement May Be Key to Improving Hydrogen Production

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Machine learning potential derived from first-principles calculations reveals that confinement in TiO2 nanopores enhances proton transfer by reducing activation energy, highlighting the interplay between confinement, surface chemistry and topology in accelerating water reactivity. (Illustration concept: Hyuna Kwon and Tuan Anh Pham/LLNL; Illustration: Ella Maru Studios)
Machine learning potential derived from first-principles calculations reveals that confinement in TiO2 nanopores enhances proton transfer by reducing activation energy, highlighting the interplay between confinement, surface chemistry and topology in accelerating water reactivity (illustration concept: Hyuna Kwon and Tuan Anh Pham/LLNL; illustration: Ella Maru Studios).

August 13, 2024 | Originally published by Lawrence Livermore National Laboratory (LLNL) on July 15, 2024

Researchers at Lawrence Livermore National Laboratory (LLNL) have discovered a new mechanism that can boost the efficiency of hydrogen production through water splitting.

This research, published in ACS Applied Materials & Interfaces, was featured on the journal cover and provides new insights into the behavior of water reactivity and proton transfer under extreme confinement, suggesting potential strategies to enhance the performance of electrocatalysts for hydrogen production, while protecting the catalyst from degradation.

Hydrogen production via photoelectrochemical water splitting has long been considered a “Holy Grail” of electrochemistry. A key for the widespread deployment of this technology is the development of an active, durable, yet affordable electrocatalytic system.

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