Author

Rafael Gómez-Bombarelli

3 papers indexed here

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Preprint Sep 2026

AI-guided high-throughput discovery of iridium- and ruthenium-free palladium-oxide catalysts for durable acidic oxygen evolution

Catalyzing acidic oxygen evolution at the proton-exchange-membrane water electrolysis (PEMWE) anode relies almost entirely on iridium or ruthenium, drawn from concentrated supply chains that constrain gigawatt-scale deployment. We report an artificial intelligence (AI)-guided, human-supervised closed-loop platform (>90...

K. Jenewein, Faezeh Habib Zadeh, Xiao-Xiao Wang et al. · 0 citations

Jul 2026

Predicting Surface Atomic Structures on Doped Perovskite Oxides Using Grand Canonical Monte Carlo: Model System of La0.6Sr0.4FeO3–δ

Surface properties of metal oxides are determined by their atomic structures, which can be exceedingly complex, including different surface terminations, chemistries and phase precipitates. First-principles studies have advanced our understanding of oxide surface reconstructions, but often face challenges due to the...

M. Liu, Hao Tang, Jing Yang et al. · Chemistry of Materials · 0 citations

Review Open access Sep 2026

Designing Vanadium‐Based Oxide Electrocatalysts for Water Splitting: Experimental and Mechanistic Insights with Machine Learning

Developing efficient and durable non‐precious metal electrocatalysts for electrochemical water splitting remains a critical barrier to sustainable hydrogen production. Among earth‐abundant candidates, vanadium‐based oxide electrocatalysts are highly attractive due to their wide range of oxidation states (V 2+– V...

Y. El Issmaeli, Amina Lahrichi, Hoje Chun et al. · Advanced Functional Material... · 0 citations