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List of works by Mathieu Salanne

A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts

scientific article

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

A first-principles description of liquid BeF2 and its mixtures with LiF: 1. Potential development and pure BeF2

scientific article published on 01 June 2006

A first-principles description of liquid BeF2 and its mixtures with LiF: 2. Network formation in LiF-BeF2

scientific article published on 01 June 2006

A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile

scientific article published on 19 February 2020

A molecular density functional theory approach to electron transfer reactions

scientific article published on 12 December 2018

A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations

scientific article published on 01 November 2020

A transferable ab initio based force field for aqueous ions.

scientific article published in March 2012

Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamics

scientific article

Anionic ordering and thermal properties of FeF3·3H2O

scientific article published on 17 September 2015

Bottom-Up Design of Configurable Oligomer-Derived Conducting Metallopolymers for High-Power Electrochemical Energy Storage

scientific article from 2021

Ca2+ -Cl- Association in Water Revisited: the Role of Cation Hydration.

scientific article published on 16 May 2017

Calculation of activities of ions in molten salts with potential application to the pyroprocessing of nuclear waste

scientific article published on 05 January 2008

Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials

scientific article published in March 2009

Capacitance of Nanoporous Carbon-Based Supercapacitors Is a Trade-Off between the Concentration and the Separability of the Ions.

scientific article published on 23 September 2016

Capacitive Performance of Water-in-Salt Electrolyte in Supercapacitors: a Simulation Study

Car-Parrinello molecular dynamics study of the uranyl behaviour at the gibbsite/water interface

scientific article published in October 2012

Ceria co-doping: synergistic or average effect? ⬇️

scientific article published on 01 May 2014

Charge fluctuations from molecular simulations in the constant-potential ensemble

scientific article published on 07 January 2020

Charge fluctuations in nanoscale capacitors.

scientific article published on 4 September 2013

Chasing Aqueous Biphasic Systems from Simple Salts by Exploring the LiTFSI/LiCl/HO Phase Diagram

scientific article published on 12 March 2019

Chasing Aqueous Biphasic Systems from simple salts by exploring the LiTFSI/LiCl/H2O phase diagram

Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations.

scientific article

Competitive salt precipitation/ dissolution during free-water reduction in water-in-salt electrolyte

scientific article published on 10 May 2020

Computer simulations of ionic liquids at electrochemical interfaces.

scientific article published on 28 August 2013

Conductivity-viscosity-structure: unpicking the relationship in an ionic liquid

scientific article published on 03 March 2007

Confinement Effects on an Electron Transfer Reaction in Nanoporous Carbon Electrodes.

scientific article published on 12 April 2017

Confinement, Desolvation, And Electrosorption Effects on the Diffusion of Ions in Nanoporous Carbon Electrodes.

scientific article

Coordination numbers and physical properties in molten salts and their mixtures

scientific article published in August 2016

Density-driven structural transformations inB2O3glass

scholarly article in Physical Review B, vol. 90 no. 2, July 2014

Diffusion coefficient and shear viscosity of rigid water models

scientific article

Diffusion coefficients and local structure in basic molten fluorides: in situ NMR measurements and molecular dynamics simulations

scientific article published on 20 October 2009

Dynamic Response in Nanoelectrowetting on a Dielectric.

scientific article published on 29 August 2016

Effect of the metallicity on the capacitance of gold–aqueous sodium chloride interfaces

scientific article published on 26 July 2021

Efficient storage mechanisms for building better supercapacitors

scholarly article published 27 May 2016

From localized orbitals to material properties: building classical force fields for nonmetallic condensed matter systems

scientific article published on 30 March 2010

From molten salts to room temperature ionic liquids: simulation studies on chloroaluminate systems.

scientific article

High Substitution Rate in TiO2 Anatase Nanoparticles with Cationic Vacancies for Fast Lithium Storage

High-pressure behaviour of GeO2: a simulation study

scientific article

Highly confined ions store charge more efficiently in supercapacitors

scientific article published in January 2013

Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations

Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes

scientific article published on 21 December 2018

In situ experimental evidence for a nonmonotonous structural evolution with composition in the molten LiF-ZrF4 system

scientific article published on 01 May 2010

In situ high-temperature EXAFS measurements on radioactive and air-sensitive molten salt materials

scientific article published on 01 January 2019

Influence of solvation on the structural and capacitive properties of electrical double layer capacitors

Interfaces of ionic liquids. Preface

scientific article published on 12 June 2014

Internal mobilities and diffusion in an ionic liquid mixture

scientific article published on 6 October 2010

Ion adsorption at a metallic electrode: an ab initio based simulation study

scientific article published on 30 September 2009

Ion specific effects on the structure of molten AF-ZrF4 systems (A+ = Li+, Na+, and K+)

scientific article published on 01 July 2011

Ion-ion correlations across and between electrified graphene layers

scientific article published on 01 May 2018

Ionic Liquids for Supercapacitor Applications.

scientific article published on 30 May 2017

Ions in solutions: Determining their polarizabilities from first-principles

scientific article published on 01 January 2011

Is a Stern and diffuse layer model appropriate to ionic liquids at surfaces?

scientific article published on 17 October 2013

Layered Lepidocrocite Type Structure Isolated by Revisiting the Sol–Gel Chemistry of Anatase TiO2: A New Anode Material for Batteries

Many-body effects at the origin of structural transitions in B2O3

scientific article published on 01 December 2019

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

scientific article published on 15 May 2020

MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems

scientific article published on 25 September 2020

Models of electrolyte solutions from molecular descriptions: the example of NaCl solutions

scientific article published on 29 December 2009

Molecular Simulation of Electrode-Solution Interfaces

scientific article published on 04 January 2021

Molecular dynamics simulation of hydrogen fluoride mixtures with 1-ethyl-3-methylimidazolium fluoride: a simple model for the study of structural features

scientific article published in March 2006

Molecular dynamics simulations of Y in silicate melts and implications for trace element partitioning

scholarly article

NMR shifts in aluminosilicate glasses via machine learning

scientific article published on 01 October 2019

New Coarse-Grained Models of Imidazolium Ionic Liquids for Bulk and Interfacial Molecular Simulations

article

On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors

article

On the Transport Properties of Li-TFSI Water-in-Salt Electrolytes

On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.

scientific article

On the molecular origin of supercapacitance in nanoporous carbon electrodes

scientific article published on 04 March 2012

Optical basicity scales in protic solvents: water, hydrogen fluoride, ammonia and their mixtures

scientific article published on 01 March 2011

Partial breaking of the Coulombic ordering of ionic liquids confined in carbon nanopores

scientific article

Pierre Turq, an inspirational scientist in charge and at interfaces

Potential-induced ordering transition of the adsorbed layer at the ionic liquid/electrified metal interface

scientific article published on 01 July 2010

Primitive models of ions in solution from molecular descriptions: a perturbation approach

scientific article published in December 2011

Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO2.

scientific article

Simulating Electrochemical Systems by Combining the Finite Field Method with a Constant Potential Electrode

scientific article published on 01 November 2019

Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?

scientific article published on 31 December 2012

Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields ⬇️

scientific article published on 01 June 2015

Solvent-Solvent Correlations across Graphene: The Effect of Image Charges

scientific article published on 03 June 2020

Sparse Cyclic Excitations Explain the Low Ionic Conductivity of StoichiometricLi7La3Zr2O12 ⬇️

scientific article published in Physical Review Letters

Structural Transitions at Ionic Liquid Interfaces ⬇️

scientific article published on 04 December 2015

Structural and dynamic properties of soda-lime-silica in the liquid phase

scientific article published on 01 December 2020

Structural characterization of eutectic aqueous NaCl solutions under variable temperature and pressure conditions

scientific article published on 08 May 2015

Structural study of Na2O-B2O3-SiO2 glasses from molecular simulations using a polarizable force field.

scientific article published in October 2017

Structural study of Na2O-B2O3-SiO2-La2O3 glasses from molecular simulations using a polarizable force field

scientific article

Structure and dynamics in yttrium-based molten rare earth alkali fluorides.

scientific article published in May 2013

Structure of tetraalkylammonium ionic liquids in the interlayer of modified montmorillonite

scientific article published on 12 June 2014

Study of a water-graphene capacitor with molecular density functional theory

scientific article published on 01 September 2019

Study of the Partial Charge Transport Properties in the Molten Alumina via Molecular Dynamics

scientific article published on 02 May 2019

Tanks and Truth

scientific article published on 22 March 2022

The Electric Double Layer Has a Life of Its Own ⬇️

The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water Versus Coordinating Water

scientific article published on 08 November 2018

The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water vs. Coordinating Water

The effect of dispersion interactions on the properties of LiF in condensed phases ⬇️

scientific article published on 27 May 2014

Thermal conductivity of ionic systems from equilibrium molecular dynamics

scientific article published on 18 February 2011

Thermal conductivity of molten alkali metal fluorides (LiF, NaF, KF) and their mixtures.

scientific article published on 17 March 2014

Thermal conductivity of simple liquids: origin of temperature and packing fraction dependences. ⬇️

scientific article published in March 2014

Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics.

scientific article published on March 2015

Transport Properties of Li-TFSI Water-in-Salt Electrolytes

scientific article published on 02 December 2019

Tuning the Electronic Structure of Anatase Through Fluorination ⬇️

scientific article

Tuning the Water Reduction Through Controlled Nanoconfinement Within an Organic Liquid Matrix

Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid-Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulations.

scientific article published on 17 December 2012

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