3 papers
physics.chem-ph2026
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…
physics.chem-ph2026
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…
cond-mat.mtrl-sci2025
Probing Anharmonic Lattice Dynamics and Thermal Transport in Layered Perovskite LiYTiO4 Anode
Lin Zhang, Wen Liu, Mingquan He +1
Layered perovskite lithium yttrium titanate () has recently emerged as a promising low-potential, ultrahigh-rate intercalation-type anode material for lithium-ion bat…