Computational Design Principles of Two-Center First-Row Transition Metal Oxide Oxygen Evolution Catalysts

Computational screens for oxygen evolution reaction (OER) catalysts based on Sabatier analysis have seen great success in recent years; however, the concept of using chemical descriptors to form a reaction coordinate has not been put under scrutiny for complex systems. In this paper, we examine crit...

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Bibliographic Details
Main Authors: Mavros, Michael George (Contributor), Shepherd, James J (Contributor), Tsuchimochi, Takashi (Contributor), McIsaac, Alexandra (Contributor), Van Voorhis, Troy (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2018-04-30T17:52:29Z.
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