most citedElectrochemical Electron Transfer: Key Concepts, Theories, and Parameterization via Atomistic Simulations

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physics.chem-ph2025★ 1 cited

Electrochemical Electron Transfer: Key Concepts, Theories, and Parameterization via Atomistic Simulations

Mengke Zhang, Yanxia Chen, Marko M. Melander +1

Electron transfer (ET) at electrochemical interfaces is central to energy conversion and storage, yet its theoretical and computational modeling remain active research areas. This…

physics.chem-ph2025★ 1 cited

Short-Range Solvent-Solvent and Ion-Solvent Correlations at Metal-Electrolyte Interfaces: Parameterization and Benchmarking

Mengke Zhang, Jun Huang

Short-range correlations in electrolyte solutions lead to oscillatory profiles of water polarization and ionic concentration at electrode-electrolyte interfaces. The recently devel…