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 calculations have found a tunable energy activation barrier reduction ranging from 0.030 eV to 2.070 eV, with Si, Pu, Pa and Sn being the best catalysts; the radioactive elements usher in new application opportunities. C significantly reduces the standard C TS energy barrier, while graphene increases it, behaving like cationic systems. According to their reaction barrier reduction efficiency, variation across charge states and systems, rank-ordered catalysts reveal their tunable and wide applications, ranging from water purification to biocompatible antiviral and antibacterial sanitation systems.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7554846 | PMC |
| http://dx.doi.org/10.3390/ijms21186714 | DOI Listing |
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