MARVEL DFT calculations underpin theoretical work on novel water-splitting catalyst

This was published on February 27, 2019

EPFL chemists have developed a new iron-nickel oxide catalyst for water splitting, the reaction that produces hydrogen fuel. The patent-pending catalyst shows significantly higher activity in the oxygen-evolution part of reaction than conventional nickel iron oxide catalysts. The work, now published in ACS Central Science, was supported by the density functional theory (DFT) computations of NCCR MARVEL's Clémence Corminboeuf and her postdoctoral student Michael Busch: their work underpinned the possible theoretical explanations.

Please follow this link to read the full article by EPFL journalist Nik Papageorgiou. 

Reference: An Unconventional Iron Nickel Catalyst for the Oxygen Evolution Reaction
Fang Song , Michael M. Busch, Benedikt Lassalle-Kaiser, Chia-Shuo Hsu, Elitsa Petkucheva, Michaël Bensimon, Hao Ming Chen, Clemence Corminboeuf , and Xile Hu 

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