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Alessandra Serva · SciRah

Researcher profile · Semantic Scholar

Alessandra Serva

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Alessandra Serva — researcher profile on SciRah

h-index: 22
Works: 53
Citations: 1,344

Most-cited papers

Tuning water reduction through controlled nanoconfinement within an organic liquid matrix
Nicolas Dubouis, Alessandra Serva, Roxanne Berthin, Guillaume Jeanmairet +4 more
2020Nature Catalysis149 citations Open access
Semantic Scholar
MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems
A. Marin-Laflèche, M. Haefele, Laura Scalfi, A. Coretti +10 more
2020Journal of Open Source Software102 citations Open access
Semantic Scholar
Development of Lennard-Jones and Buckingham Potentials for Lanthanoid Ions in Water.
V. Migliorati, Alessandra Serva, Filippo Maria Terenzio, P. D'Angelo
2017Inorganic Chemistry78 citations
Semantic Scholar
The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water vs. Coordinating Water
Nicolas Dubouis, Alessandra Serva, E. Salager, M. Deschamps +2 more
201870 citations Open access
Semantic Scholar
The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water Versus Coordinating Water.
Nicolas Dubouis, Alessandra Serva, E. Salager, M. Deschamps +2 more
2018Journal of Physical Chemistry Letters68 citations Open access
Semantic Scholar
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes.
A. Coretti, Camille Bacon, Roxanne Berthin, Alessandra Serva +8 more
2022Journal of Chemical Physics61 citations Open access
Semantic Scholar
Influence of Counterions on the Hydration Structure of Lanthanide Ions in Dilute Aqueous Solutions.
V. Migliorati, Alessandra Serva, F. Sessa, A. Lapi +1 more
2018Journal of Physical Chemistry B56 citations
Semantic Scholar
Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions.
F. Dorchies, Alessandra Serva, Dorian Crevel, J. De Freitas +5 more
2022Journal of the American Chemical Society53 citations Open access
Semantic Scholar
Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies
Simone Pezzotti, Alessandra Serva, F. Sebastiani, F. S. Brigiano +6 more
2021Journal of Physical Chemistry Letters53 citations Open access
Semantic Scholar
Size dependence of hydrophobic hydration at electrified gold/water interfaces
Alessandra Serva, M. Salanne, M. Havenith, Simone Pezzotti
2020Proceedings of the National Academy of Sciences of the United States of America48 citations Open access
Semantic Scholar
Effect of the metallicity on the capacitance of gold-aqueous sodium chloride interfaces.
Alessandra Serva, Laura Scalfi, B. Rotenberg, M. Salanne
2021Journal of Chemical Physics43 citations Open access
Semantic Scholar
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, M. Gaigeot
2018Journal of Chemical Physics41 citations
Semantic Scholar
Structural Properties and Aggregation Behavior of 1-Hexyl-3-methylimidazolium Iodide in Aqueous Solutions.
P. D'Angelo, Alessandra Serva, G. Aquilanti, S. Pascarelli +1 more
2015Journal of Physical Chemistry B39 citations
Semantic Scholar
Structural properties of geminal dicationic ionic liquid/water mixtures: a theoretical and experimental insight.
Alessandra Serva, V. Migliorati, A. Lapi, G. Aquilanti +2 more
2016Physical Chemistry, Chemical Physics - PCCP38 citations
Semantic Scholar
Confining Water in Ionic and Organic Solvents to Tune Its Adsorption and Reactivity at Electrified Interfaces
Alessandra Serva, Nicolas Dubouis, A. Grimaud, M. Salanne
2021Accounts of Chemical Research36 citations Open access
Semantic Scholar
Formation of Polymer-like Nanochains with Short Lithium-Lithium Distances in a Water-in-Salt Electrolyte.
Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne
2024Journal of the American Chemical Society34 citations Open access
Semantic Scholar
2023 Roadmap on molecular modelling of electrochemical energy materials
Chao Zhang, Jun Cheng, Yi-Ming Chen, Maria K. Y. Chan +28 more
2023Journal of Physics: Energy34 citations Open access
Semantic Scholar
Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer
Mahnaz Azimzadeh Sani, N. Pavlopoulos, Simone Pezzotti, Alessandra Serva +5 more
2021Angewandte Chemie32 citations Open access
Semantic Scholar
Local order and long range correlations in imidazolium halide ionic liquids: a combined molecular dynamics and XAS study.
V. Migliorati, Alessandra Serva, G. Aquilanti, S. Pascarelli +1 more
2015Physical Chemistry, Chemical Physics - PCCP31 citations
Semantic Scholar
On the coordination of Zn2+ ion in Tf2N- based ionic liquids: structural and dynamic properties depending on the nature of the organic cation.
F. Sessa, V. Migliorati, Alessandra Serva, A. Lapi +3 more
2018Physical Chemistry, Chemical Physics - PCCP29 citations
Semantic Scholar
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, D. Galimberti +1 more
2018Journal of Molecular Structure27 citations
Semantic Scholar
Combining EXAFS spectroscopy and molecular dynamics simulations to understand the structural and dynamic properties of an imidazolium iodide ionic liquid.
V. Migliorati, Alessandra Serva, G. Aquilanti, L. Olivi +3 more
2015Physical Chemistry, Chemical Physics - PCCP26 citations
Semantic Scholar
Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations
Kateryna Goloviznina, Johann Fleischhaker, Tobias Binninger, B. Rotenberg +5 more
2024Advances in Materials21 citations Open access
Semantic Scholar
On the key role of electrolyte-electrode van der Waals interactions in the simulation of ionic liquids-based supercapacitors
Camille Bacon, Alessandra Serva, Céline Merlet, P. Simon +1 more
2023Electrochimica Acta19 citations Open access
Semantic Scholar
How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study.
Alessandra Serva, V. Migliorati, R. Spezia, P. D'Angelo
2017Chemistry19 citations
Semantic Scholar
Ions Adsorbed at Amorphous Solid/Solution Interfaces Form Wigner Crystal-like Structures.
Jianan Wang, Hua Li, Mahdi Tavakol, Alessandra Serva +6 more
2023ACS Nano17 citations Open access
Semantic Scholar
Correlating Substrate Reactivity at Electrified Interfaces with the Electrolyte Structure in Synthetically Relevant Organic Solvent/Water Mixtures.
F. Dorchies, Alessandra Serva, Astrid Sidos, Laurent Michot +3 more
2024Journal of the American Chemical Society16 citations Open access
Semantic Scholar
The role of hydrophobic hydration in the free energy of chemical reactions at the gold/water interface: Size and position effects.
Alessandra Serva, M. Havenith, Simone Pezzotti
2021Journal of Chemical Physics16 citations Open access
Semantic Scholar
Simulating the charging mechanism of a realistic nanoporous carbon-based supercapacitor using a fully polarizable model
Camille Bacon, Patrice Simon, Mathieu Salanne, Alessandra Serva
2024Energy Storage Materials11 citations Open access
Semantic Scholar
Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization.
Fabrizio Creazzo, Simone Pezzotti, Sana Bougueroua, Alessandra Serva +4 more
2020Physical Chemistry, Chemical Physics - PCCP11 citations
Semantic Scholar
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, M. Salanne, G. Rousse +3 more
2022ACS Applied Materials and Interfaces10 citations Open access
Semantic Scholar
Electrode Flexibility Enhances Electrolyte Dynamics during Supercapacitor Charging.
Zacharie Waysenson, Arthur France-Lanord, Alessandra Serva, Patrice Simon +2 more
2025ACS Nano9 citations Open access
Semantic Scholar
Study of the Partial Charge Transport Properties in the Molten Alumina via Molecular Dynamics
A. Gheribi, Alessandra Serva, M. Salanne, Kelly Machado +3 more
2019ACS Omega9 citations Open access
Semantic Scholar
S.O.S: Shape, orientation, and size tune solvation in electrocatalysis.
Alessandra Serva, Simone Pezzotti
2024Journal of Chemical Physics7 citations Open access
Semantic Scholar
Solvation of anthraquinone and TEMPO redox-active species in acetonitrile using a polarizable force field.
Roxanne Berthin, Alessandra Serva, Kyle G. Reeves, Esther Heid +2 more
2021Journal of Chemical Physics7 citations Open access
Semantic Scholar
Structural and dynamic properties of soda-lime-silica in the liquid phase.
Alessandra Serva, Allan Guerault, Yoshiki Ishii, E. Gouillart +2 more
2020Journal of Chemical Physics7 citations Open access
Semantic Scholar
Solvation structure of lanthanide(iii) bistriflimide salts in acetonitrile solution: a molecular dynamics simulation and EXAFS investigation.
V. Migliorati, A. Filipponi, F. Sessa, A. Lapi +2 more
2019Physical Chemistry, Chemical Physics - PCCP7 citations
Semantic Scholar
Electron transfer of functionalized quinones in acetonitrile.
Tzu-Yao Hsu, Roxanne Berthin, Alessandra Serva, Kyle G. Reeves +2 more
2022Journal of Chemical Physics5 citations Open access
Semantic Scholar
A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile.
Kyle G. Reeves, Alessandra Serva, Guillaume Jeanmairet, M. Salanne
2019Physical Chemistry, Chemical Physics - PCCP5 citations Open access
Semantic Scholar
Modelling proton transfer in [HEIM][TFSI] ionic liquid
Martín Otero-Lema, Kateryna Goloviznina, L. M. Varela, Mathieu Salanne +2 more
2025Materials Today Energy2 citations Open access
Semantic Scholar
Speciation of the proton in water-in-salt electrolytes.
Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne
2024Faraday discussions2 citations Open access
Semantic Scholar
Nanostructural Organization in a Biredox Ionic Liquid.
Roxanne Berthin, Alessandra Serva, O. Fontaine, M. Salanne
2022Journal of Physical Chemistry Letters2 citations Open access
Semantic Scholar
Overcoming Sampling Limitations Using Machine-Learned Interatomic Potentials: The Case of Water-in-Salt Electrolytes
Luca Brugnoli, Mathieu Salanne, A. Saitta, Alessandra Serva +1 more
2026Journal of Chemical Theory and Computation1 citations Open access
Semantic Scholar
Extending Hamiltonian-Adaptive Resolution Simulation to Interfaces: An Updated LAMMPS Implementation and Application to Porous Solids
H. Sudhakar, Alessandra Serva, R. Semino
2026Journal of Chemical Information and Modeling1 citations Open access
Semantic Scholar
Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces
H. Sudhakar, Alessandra Serva, Rocio Semino Sorbonne Université, Cnrs +7 more
20260 citations
Semantic Scholar
Strongly vs. weakly associating anions: transport-structure relationship in LiTFSI-LiNO3 electrolytes.
E. Rems, Tim Šlosar, Sara Drvarič-Talian, M. Huš +2 more
2025Physical Chemistry, Chemical Physics - PCCP0 citations Open access
Semantic Scholar
(Invited) Combining Constant Potential Molecular Dynamics and Experiments to Study Electrolyte Effects at Solid/Liquid Interfaces
Alessandra Serva, Mathieu Salanne
2023ECS Meeting Abstracts0 citations
Semantic Scholar
MetalWalls 20.05
A. Marin-Laflèche, M. Haefele, Laura Scalfi, A. Coretti +10 more
20200 citations
Semantic Scholar
Inside Back Cover: How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study (Chem. Eur. J. 35/2017)
Alessandra Serva, V. Migliorati, R. Spezia, P. D'Angelo
20170 citations
Semantic Scholar
Unveiling the complex network of interactions in Ionic Liquids: a combined EXAFS and Molecular Dynamics approach
Alessandra Serva, V. Migliorati, A. Lapi, P. D'Angelo
20160 citations Open access
Semantic Scholar

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