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most citedSPEA -- an analytical thermodynamic model for defect phase diagram

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physics.chem-ph2025

Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces

Jing Yang, Bingxin Li, Samuel Mattoso +3

Large thermal fluctuations of the liquid phase obscure the weak macroscopic electric field that drives electrochemical reactions, rendering the extraction of reliable interfacial c…