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Doubly-Charged Negative Ions as Novel Tunable Catalysts: Graphene and Fullerene Molecules Versus Atomic Metals

The fundamental mechanism underlying negative-ion catalysis involves bond-strength breaking in the transition state (TS). Doubly-charged atomic/molecular anions are proposed as novel dynamic tunable catalysts, as demonstrated in water oxidation into peroxide. Density Functional Theory TS calculation...

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Pubblicato in:Int J Mol Sci
Autori principali: Suggs, Kelvin, Msezane, Alfred Z.
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2020
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7554846/
https://ncbi.nlm.nih.gov/pubmed/32933219
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms21186714
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