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Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics

Electrocatalysis provides a powerful means to selectively transform molecules, but a serious impediment in making rapid progress is the lack of a molecular-based understanding of the reactive mechanisms or intermediates at the electrode–electrolyte interface (EEI). Recent experimental techniques hav...

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Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Cheng, Tao, Fortunelli, Alessandro, Goddard, William A.
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 2019
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6475413/
https://ncbi.nlm.nih.gov/pubmed/30867281
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1821709116
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