Density Matrix-Based Features as Descriptors for Oxygen Reduction and Evolution Catalysts

Secor, Maxim; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

doi:10.1021/acs.jpcc.3c03392

Density Matrix-Based Features as Descriptors for Oxygen Reduction and Evolution Catalysts

Journal Article · 31 July 2023 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.3c03392· OSTI ID:2424119

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Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States

Not provided.

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Molecular Electrocatalysis (CME)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 2424119

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 31 Vol. 127; ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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