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Probing the Electrode–Electrolyte Interface of a Model K-Ion Battery Electrode─The Origin of Rate Capability Discrepancy between Aqueous and Non-Aqueous Electrolytes

Pierre Lemaire , Alessandra Serva , Mathieu Salanne , Gwënaelle Rousse , Hubert Perrot et al.
ACS Applied Materials & Interfaces, 2022, 14, pp.20835-20847. ⟨10.1021/acsami.1c24111⟩
Journal articles hal-03659930v1
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The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water Versus Coordinating Water

Nicolas Dubouis , Alessandra Serva , Elodie Salager , Michael Deschamps , Mathieu Salanne et al.
Journal of Physical Chemistry Letters, 2018, 9 (23), pp.6683-6688. ⟨10.1021/acs.jpclett.8b03066⟩
Journal articles hal-01955801v1

Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface

Alessandra Serva , Simone Pezzotti , Sana Bougueroua , Daria Ruth Galimberti , Marie-Pierre Gaigeot et al.
Journal of Molecular Structure, 2018, 1165, pp.71-78. ⟨10.1016/j.molstruc.2018.03.074⟩
Journal articles hal-02082460v1
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Electron transfer of functionalized quinones in acetonitrile

Tzu-Yao Hsu , Roxanne Berthin , Alessandra Serva , Kyle Reeves , Mathieu Salanne et al.
Journal of Chemical Physics, 2022, 157 (9), pp.094103. ⟨10.1063/5.0102238⟩
Journal articles hal-03800562v1

2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations

Simone Pezzotti , Alessandra Serva , Marie-Pierre Gaigeot
Journal of Chemical Physics, 2018, 148 (17), pp.174701. ⟨10.1063/1.5018096⟩
Journal articles hal-02110445v1
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A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile

Kyle G Reeves , Alessandra Serva , Guillaume Jeanmairet , Mathieu Salanne
Physical Chemistry Chemical Physics, 2020, 22 (19), pp.10561-10568. ⟨10.1039/C9CP06658F⟩
Journal articles hal-02884171v1
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MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Alessandro Coretti , Camille Bacon , Roxanne Berthin , Alessandra Serva , Laura Scalfi et al.
Journal of Chemical Physics, 2022, 157 (18), pp.184801. ⟨10.1063/5.0101777⟩
Journal articles hal-03843736v1
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Effect of the metallicity on the capacitance of gold–aqueous sodium chloride interfaces

Alessandra Serva , Laura Scalfi , Benjamin Rotenberg , Mathieu Salanne
Journal of Chemical Physics, 2021, 155 (4), pp.044703. ⟨10.1063/5.0060316⟩
Journal articles hal-03329773v1

Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies

Simone Pezzotti , Alessandra Serva , Federico Sebastiani , Flavio Siro Brigiano , Daria Ruth Galimberti et al.
Journal of Physical Chemistry Letters, 2021, 12 (15), pp.3827-3836. ⟨10.1021/acs.jpclett.1c00257⟩
Journal articles hal-03641892v1

Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions

Alexis Grimaud , Florian Dorchies , Alessandra Serva , Dorian Crevel , Jérémy de Freitas et al.
Journal of the American Chemical Society, 2022, 144 (49), pp.22734-22746. ⟨10.1021/jacs.2c10764⟩
Journal articles hal-04008055v1
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Tuning the water reduction through controlled nanoconfinement within an organic liquid matrix

Nicolas Dubouis , Alessandra Serva , Roxanne Berthin , Guillaume Jeanmairet , Benjamin Porcheron et al.
Nature Catalysis, 2020, 3 (8), pp.656-663. ⟨10.1038/s41929-020-0482-5⟩
Journal articles hal-02967895v1
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Structural and dynamic properties of soda-lime-silica in the liquid phase

Alessandra Serva , Allan Guerault , Yoshiki Ishii , Emmanuelle Gouillart , Ekaterina Burov et al.
Journal of Chemical Physics, 2020, 153 (21), pp.214505. ⟨10.1063/5.0029702⟩
Journal articles hal-03097723v1

Enhanced conductivity of water at the electrified air–water interface: a DFT-MD characterization

Fabrizio Creazzo , Simone Pezzotti , Sana Bougueroua , Alessandra Serva , Jirí Sponer et al.
Physical Chemistry Chemical Physics, 2020, ⟨10.1039/C9CP06970D⟩
Journal articles hal-02568032v1
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Study of the Partial Charge Transport Properties in the Molten Alumina via Molecular Dynamics

Aimen Gheribi , Alessandra Serva , Mathieu Salanne , Kelly Machado , Didier Zanghi et al.
ACS Omega, 2019, 4 (5), pp.8022-8030. ⟨10.1021/acsomega.9b01110⟩
Journal articles hal-02319016v1
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Confining Water in Ionic and Organic Solvents to Tune Its Adsorption and Reactivity at Electrified Interfaces

Alessandra Serva , Nicolas Dubouis , Alexis Grimaud , Mathieu Salanne
Accounts of Chemical Research, 2021, 54 (4), pp.1034-1042. ⟨10.1021/acs.accounts.0c00795⟩
Journal articles hal-03182832v1

Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer

Mahnaz Azimzadeh Sani , Nicholas Pavlopoulos , Simone Pezzotti , Alessandra Serva , Paolo Cignoni et al.
Angewandte Chemie International Edition, 2022, 61 (5), ⟨10.1002/anie.202112679⟩
Journal articles hal-03641571v1