Physicochimie des électrolytes et nanosystèmes interfaciaux | PHENIX

• Article dans une revue

Following reaction kinetics in multiphase systems using local descriptors from machine-learned interatomic potentials: Application to the solid electrolyte interphase

Agnieszka Warnicka, Gracie Chaney, Mathieu Salanne, Ambroise van Roekeghem

Machine-learning interatomic potentials have revolutionised atomistic simulations, yet the rich structural information embedded in their descriptors of the local atomic environments is still rarely exploited further for analysis purpose. In this article, we show that the descriptors from moment-…

Materials today energy, 2026, 56, pp.102215. ⟨10.1016/j.mtener.2026.102215⟩. ⟨hal-05494860⟩

• Poster de conférence

Solvation and Transport in Divalent Cation Electrolytes

Mathieu Cancade, Heigo Ers, Aurélien Zavadil, Camille Pelgrin-Morvan, Alessandra Serva, Rodolphe Vuilleumier, Agilio Padua

PEPR Batteries Day 2026, Jan 2026, Grenoble, France. ⟨hal-05479205⟩

• Article dans une revue

Molecule-driven control of the magnetic anisotropy of surface-functionalized maghemite nanoparticles

Yoann Prado, Leonardo Curti, Aude Michel, Benoît Baptiste, Yanling Li, David Hrabovsky, Benoit Fleury, Vincent Dupuis, Laurent Lisnard, Jérôme Fresnais

Using cobalt(II) complexes and a simple coordination reaction at the surface of maghemite nanoparticles, a molecule-driven control of the effective magnetic anisotropy can be achieved. This functionalisation strategy is explored for nanoparticles ranging from 4 to 8 nm and performed in soft…

Chemistry of Materials, In press, ⟨10.1021/acs.chemmater.5c02831⟩. ⟨hal-05466437⟩

• Article dans une revue

Unveiling complex lithiation/delithiation mechanism in AgNbO3 model perovskite using operando X-ray absorption spectroscopy

Abbas Khan, Camille Douard, Antonella Iadecola, Thierry Brousse, Olivier Crosnier

In AgNbO3 perovskite structure, electrochemical activation is speculated during the first lithiation cycle enabling the material to reversibly store Li+ by the contributions of both Ag and Nb cation. However, the origin of electrochemically induced structural activation and understanding of cations…

Electrochimica Acta, 2025, 542, pp.147435. ⟨10.1016/j.electacta.2025.147435⟩. ⟨hal-05340406⟩