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- W2967685855 abstract "Electrosynthesis via electrochemical plasma, a discharge over the surface of liquid water (or plasma cathode), may offer an unprecedented route of synthesis for chemicals and (wind) solar fuels. Describing the physical chemical events underneath plasma/liquid interface (PLI) on a theoretical basis is crucial for enabling a rational designing of chemical synthesis. To address this problem, this work proposes a generalist dynamical model for the nanoreactor, a fraction of nanoliters localized beneath the PLI that features substantially high concentration of hydrated electrons (eaq–), and it screens chemical reaction networks (CRN) related to the synthesis of hydrogen, a model electrosynthesis process. The computational results elucidate two major routes for hydrogen production: (a) in very alkaline media, the water reduction via self-recombination of eaq– [2eaq– + 2H2O → H2 + 2OH–] consumes the majority of eaq–, whereas (b) in very acid media, eaq– is majorly scavenger by the ion Haq+, generating an abnormally high concentration of the radical H•, a precursor for gaseous hydrogen. Additionally, two scenarios are disadvantageous for synthesizing H2. Side reactions with aqueous oxygen and aqueous radical •OH leads to substantial production of O2– and OH–, respectively. Without loss of generality, the dynamical model proposed in this work is a powerful theoretical frame for understanding and predicting a variety of plasma-induced CRNs, assisting to advance the emerging field of plasma electrochemistry." @default.
- W2967685855 created "2019-08-22" @default.
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- W2967685855 date "2019-08-12" @default.
- W2967685855 modified "2023-09-27" @default.
- W2967685855 title "Electrosynthesis via Plasma Electrochemistry: Generalist Dynamical Model To Explain Hydrogen Production Induced by a Discharge over Water" @default.
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- W2967685855 doi "https://doi.org/10.1021/acs.jpcc.9b04777" @default.
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