Publication: Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces
Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces
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Lan, J., Rybkin, V. V., & Iannuzzi, M. (2020). Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces. Journal of Physical Chemistry Letters, 11, 3724–3730. https://doi.org/10.1021/acs.jpclett.0c01025
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The enhanced probability of water dissociation at the aqueous electrode interfaces is predicted by path-integral ab initio molecular dynamics. The ionization process is observed at the aqueous platinum interface when nuclear quantum effects are introduced in the statistical sampling, while minor effects have been observed at the gold interface. We characterize the dissociation mechanism of the formed water ions. In spite of the fact that the concentration and lifetime of the ions might be challenging to experimentally detect, they may
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- Lan, Jinggang
- Rybkin, Vladimir V
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Lan, J., Rybkin, V. V., & Iannuzzi, M. (2020). Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces. Journal of Physical Chemistry Letters, 11, 3724–3730. https://doi.org/10.1021/acs.jpclett.0c01025