Author

Atsuo Yamada

3 papers indexed here

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Open access Sep 2026

Electrode Potential in Ionic Liquid Enlightened by Liquid Madelung Theory

Electrode potentials in electrolytes vary systematically with salt concentration, yet establishing a quantitative connection between electrolyte structure and electrode potential remains a longstanding challenge. Here, we demonstrate that the liquid Madelung energyan atomistically resolved Coulombic descriptor obtaine...

Yusuke Irie, Atsushi Kitada, Long-Jie Liu et al. · Journal of the American Chem... · 0 citations

Open access Aug 2026

Machine learning force field molecular dynamics simulation of SEI formation on lithium metal

Lithium metal batteries represent a cornerstone technology for next-generation energy storage systems owing to their exceptional energy density. However, the extreme reactivity of lithium metal drives continuous parasitic reactions with electrolytes, causing interfacial instability and dendritic growth that severely...

Norio Takenaka, Taiga Iwata, T. Bernhard et al. · npj Computational Materials · 2 citations

Open access Aug 2026

Machine learning force field molecular dynamics simulation of interfacial reactions on platinum in concentrated aqueous electrolytes

Aqueous lithium-ion batteries provide a promising route toward safe and sustainable energy storage, yet their energy density is constrained by the narrow electrochemical stability window of aqueous electrolytes. Although high salt concentrations can kinetically extend the cathodic limit of the electrolyte via anion...

Hao Yu, Norio Takenaka, Atsuo Yamada · npj Computational Materials · 0 citations