Publications

Tuning the water reduction through controlled nanoconfinement within an organic liquid matrix

Nicolas Dubouis Alessandra Serva Roxanne Berthin Guillaume Jeanmairet Benjamin Porcheron Elodie Salager Mathieu Salanne Alexis Grimaud

Nature Catalysis

1 August 2020

Mg 3 (BH 4 ) 4 (NH 2 ) 2 as Inorganic Solid Electrolyte with High Mg 2+ Ionic Conductivity

Ronan Le Ruyet Benoit Fleutot Romain Berthelot Yasmine Benabed Geoffroy Hautier Yaroslav Filinchuk Raphael Janot

ACS Applied Energy Materials

27 July 2020

Shuttle Effect Quantification for Redox Ionic Liquid Electrolyte Correlated to the Coulombic Efficiency of Supercapacitors

Charlotte Bodin Bongu Chandra Sekhar Mathieu Deschanels Sylvain Catrouillet Steven Le Vot Frédéric Favier Olivier Fontaine

Batteries & Supercaps

24 July 2020

Unveiling Pseudocapacitive Charge Storage Behavior in FeWO 4 Electrode Material by Operando X‐Ray Absorption Spectroscopy

Nicolas Goubard‐bretesché Olivier Crosnier Camille Douard Antonella Iadecola Richard Retoux Christophe Payen Marie-Liesse Doublet Kazuaki Kisu Etsuro Iwama Katsuhiko Naoi Frédéric Favier Thierry Brousse

Small

13 July 2020

Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation

Daniel Borgis Sohvi Luukkonen Luc Belloni Guillaume Jeanmairet

Journal of Physical Chemistry B

10 July 2020

Atomic Layer Fluorination of 5 V Class Positive Electrode Material LiCoPO 4 for Enhanced Electrochemical Performance

Sanghoon Kim Eun Jeong Kim Youn Charles‐blin Katia Guérin Marc Dubois Delphine Flahaut Hervé Martinez Michael Deschamps David Miller John Irvine A. Robert Armstrong Laure Monconduit Nicolas Louvain

Batteries & Supercaps

23 June 2020

Local Distortions and Dynamics in Hydrated Y-doped BaZrO3

Amangeldi Torayev Luke Sperrin Maria Gomez John Kattirtzi Céline Merlet Clare Grey

Journal of Physical Chemistry C

23 June 2020

Local Distortions and Dynamics in Hydrated Y-Doped BaZrO3

Amangeldi Torayev Luke Sperrin Maria A. Gomez John A. Kattirtzi Céline Merlet Clare P. Grey

Journal of Physical Chemistry C

23 June 2020

Atomic Layer Fluorination of 5 V Class Positive Electrode Material LiCoPO 4 for Enhanced Electrochemical Performance

Sanghoon Kim Eun Jeong Kim Youn Charles‐blin Katia Guérin Marc Dubois Delphine Flahaut Hervé Martinez Michael Deschamps David Miller John Irvine A. Robert Armstrong Laure Monconduit Nicolas Louvain

Batteries & Supercaps

23 June 2020

Fast Charging Materials for High Power Applications

Binson Babu Patrice Simon Andrea Balducci

Advanced Energy Materials

22 June 2020

Surface atomic layer fluorination of Li4Ti5O12: Investigation of the surface electrode reactivity and the outgassing behavior in LiBs

Youn Charles-Blin Olinda Gimello Delphine Flahaut Katia Guérin Marc Dubois Laure Monconduit Nicolas Louvain Hervé Martinez

Applied Surface Science

29 May 2020

Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems

A. Coretti L. Scalfi C. Bacon B. Rotenberg R. Vuilleumier G. Ciccotti M. Salanne S. Bonella

Journal of Chemical Physics

21 May 2020

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Tuning the water reduction through controlled nanoconfinement within an organic liquid matrix

Mg 3 (BH 4 ) 4 (NH 2 ) 2 as Inorganic Solid Electrolyte with High Mg 2+ Ionic Conductivity

Shuttle Effect Quantification for Redox Ionic Liquid Electrolyte Correlated to the Coulombic Efficiency of Supercapacitors

Unveiling Pseudocapacitive Charge Storage Behavior in FeWO 4 Electrode Material by Operando X‐Ray Absorption Spectroscopy

Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation

Atomic Layer Fluorination of 5 V Class Positive Electrode Material LiCoPO 4 for Enhanced Electrochemical Performance

Local Distortions and Dynamics in Hydrated Y-doped BaZrO3

Local Distortions and Dynamics in Hydrated Y-Doped BaZrO3

Atomic Layer Fluorination of 5 V Class Positive Electrode Material LiCoPO 4 for Enhanced Electrochemical Performance

Fast Charging Materials for High Power Applications

Surface atomic layer fluorination of Li4Ti5O12: Investigation of the surface electrode reactivity and the outgassing behavior in LiBs

Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems