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Unraveling the Charge Distribution at the Metal-Electrolyte Interface Coupling in Situ Surface Resonant X‑Ray Diffraction with Ab Initio Calculations

The comprehension of the mechanisms underlying the charge distribution at the electrochemical interface is a fundamental step in sight of the performing of catalytic materials. Several techniques allow the atomic structure of the metal surface to be characterized, while no experimental method allows obtaining the charge distribution in the interfacial region. Coupling in situ Surface Resonant X-Ray diffraction, a site sensitive experimental technique probing both the atomic and the electronic surface structure, with ab initio calculations, recently implemented to describe the electrolyte facing the metal and the applied potential, we succeeded in quantitatively describing the charge distribution at the electrochemical interface of the archetypal system Pt(111) in acidic medium