Céline Merlet

48
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Publications

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Publications

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Effect of Gold Substrate on the Interface between Graphene Monolayer and an Ionic Liquid

Nicolas Gaudy , Mathieu Salanne , Céline Merlet
ACS Nanoscience Au, 2025, 5 (2), pp.84 - 92. ⟨10.1021/acsnanoscienceau.4c00070⟩
Article dans une revue hal-05060836 v1
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Structural disorder determines capacitance in nanoporous carbons

Xinyu Liu , Dongxun Lyu , Céline Merlet , Matthew J A Leesmith , Xiao Hua et al.
Science, 2024, 384 (6693), pp.321-325. ⟨10.1126/science.adn6242⟩
Article dans une revue hal-04650660 v1
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Operando tracking of ion population changes in the EDL electrode of a lithium-ion capacitor during its charge/discharge

Andres Parejo-Tovar , Céline Merlet , Paula Ratajczak , François Béguin
Energy Storage Materials, 2024, 73, pp.103810. ⟨10.1016/j.ensm.2024.103810⟩
Article dans une revue hal-04759150 v1
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Dynamics and Energetics of Ion Adsorption at the Interface between a Pure Ionic Liquid and Carbon Electrodes

Nicolas Gaudy , Mathieu Salanne , Céline Merlet
Journal of Physical Chemistry B, 2024, 128 (20), pp.5064-5071. ⟨10.1021/acs.jpcb.4c01192⟩
Article dans une revue hal-04650682 v1
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MXene Inks for High‐Throughput Printing of Electronics

Sina Abdolhosseinzadeh , René Schneider , Mohammad Jafarpour , Céline Merlet , Frank Nüesch et al.
Advanced Electronic Materials, 2024, pp.2400170. ⟨10.1002/aelm.202400170⟩
Article dans une revue hal-04759094 v1
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Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model

El Hassane Lahrar , Céline Merlet
Faraday Discussions, 2024, 255, pp.355. ⟨10.1039/d4fd00082j⟩
Article dans une revue hal-04759139 v1

Materials challenges for supercapacitors

Hyun-Kyung Kim , Aiping Yu , Magda Titirici , Céline Merlet , Yihua Gao et al.
APL Materials, 2023, 11 (7), ⟨10.1063/5.0162575⟩
Article dans une revue hal-04303273 v1
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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 , Patrice Simon , Mathieu Salanne
Electrochimica Acta, 2023, 455, pp.142380. ⟨10.1016/j.electacta.2023.142380⟩
Article dans une revue hal-04131515 v1
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Insights into the effect of oxygen functional groups on the heterogeneous electron transfer at activated carbons from scanning electrochemical microscopy

Giovanna Franklin , El-Mahdi Halim , Céline Merlet , Pierre-Louis Taberna , Patrice Simon
Electrochimica Acta, 2023, 465, pp.142944. ⟨10.1016/j.electacta.2023.142944⟩
Article dans une revue hal-04235008 v1
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Mieux comprendre l’adsorption dans les matériaux poreux carbonés : modélisation multi-échelle appliquée à la spectroscopie RMN

Céline Merlet
L'Actualité Chimique, 2023
Article dans une revue hal-04268559 v1
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Investigating particle size effects on NMR spectra of ions diffusing in porous carbons through a mesoscopic model

Anagha Sasikumar , Céline Merlet
Solid State Nuclear Magnetic Resonance, 2023, 126, pp.101883. ⟨10.1016/j.ssnmr.2023.101883⟩
Article dans une revue hal-04130794 v1
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Understanding the Chemical Shifts of Aqueous Electrolyte Species Adsorbed in Carbon Nanopores

Anagha Sasikumar , John Griffin , Céline Merlet
Journal of Physical Chemistry Letters, 2022, 13 (38), pp.8953-8962. ⟨10.1021/acs.jpclett.2c02260⟩
Article dans une revue hal-03792747 v1
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Elucidating Curvature-Capacitance Relationships in Carbon-Based Supercapacitors

Jannes Seebeck , Céline Merlet , Robert Meissner
Physical Review Letters, 2022, 128 (8), pp.086001. ⟨10.1103/physrevlett.128.086001⟩
Article dans une revue hal-03588862 v1
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Simulations of Ionic Liquids Confined in Surface Functionalized Nanoporous Carbons: Implications for Energy Storage

El Hassane Lahrar , Irena Deroche , Camélia Ghimbeu , Patrice Simon , Céline Merlet
ACS Applied Nano Materials, 2021, 4, pp.4007. ⟨10.1021/acsanm.1c00342⟩
Article dans une revue hal-03187295 v1
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NMR studies of adsorption and diffusion in porous carbonaceous materials

Alexander C Forse , Céline Merlet , Clare P Grey , John M Griffin
Progress in Nuclear Magnetic Resonance Spectroscopy, 2021, 124, pp.57. ⟨10.1016/j.pnmrs.2021.03.003⟩
Article dans une revue hal-03206263 v1
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Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: Electronic structure and adsorbent reorganisation effects

Anagha Sasikumar , Anouar Belhboub , Camille Bacon , Alexander C Forse , John M Griffin et al.
Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP02130C⟩
Article dans une revue hal-03290201 v1
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Carbon-carbon supercapacitors: Beyond the average pore size or how electrolyte confinement and inaccessible pores affect the capacitance

El Hassane Lahrar , Patrice Simon , Celine Merlet
The Journal of Chemical Physics, 2021, 155, pp.184703. ⟨10.1063/5.0065150⟩
Article dans une revue hal-03388764 v1
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Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O2 Cathodes on Discharge through a Combined Experimental and Theoretical Approach

Amangeldi Torayev , Simon Engelke , Zeliang Su , Lauren E Marbella , Vincent de Andrade et al.
Journal of Physical Chemistry C, 2021, ⟨10.1021/acs.jpcc.0c10417⟩
Article dans une revue hal-03154222 v1
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Computational Insights into Charge Storage Mechanisms of Supercapacitors

Kui Xu , Hui Shao , Zifeng Lin , Céline Merlet , Guang Feng et al.
ENERGY & ENVIRONMENTAL MATERIALS, 2020, 3 (3), pp.235-246. ⟨10.1002/eem2.12124⟩
Article dans une revue hal-02955559 v1
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Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons

Dimitrios Kilymis , Albert P Bartók , Chris Pickard , Alexander C Forse , Céline Merlet
Physical Chemistry Chemical Physics, 2020, ⟨10.1039/D0CP01705A⟩
Article dans une revue hal-02863990 v1
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Effects of functional groups and anion size on the charging mechanisms in layered electrode materials

Kui Xu , Céline Merlet , Zifeng Lin , Hui Shao , Pierre-Louis Taberna et al.
Energy Storage Materials, 2020, ⟨10.1016/j.ensm.2020.08.030⟩
Article dans une revue hal-02933837 v1
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Ionic liquids under confinement: From systematic variations of the ion and pore sizes towards an understanding of structure and dynamics in complex porous carbons

El Hassane Lahrar , Anouar Belhboub , Patrice Simon , Céline Merlet
ACS Applied Materials & Interfaces, 2019, 12 (1), pp.1789-1798. ⟨10.1021/acsami.9b16740⟩
Article dans une revue hal-02863066 v1
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Carbons with Regular Pore Geometry Yield Fundamental Insights into Supercapacitor Charge Storage

Yifei Michelle Liu , Céline Merlet , Berend Smit
ACS Central Science, 2019, 5 (11), pp.1813. ⟨10.1021/acscentsci.9b00800⟩
Article dans une revue hal-02373268 v1
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On the development of an original mesoscopic model to predict the capacitive properties of carbon-carbon supercapacitors

Anouar Belhboub , El Hassane Lahrar , Patrice Simon , Céline Merlet
Electrochimica Acta, 2019, 327, pp.135022. ⟨10.1016/j.electacta.2019.135022⟩
Article dans une revue hal-02322514 v1
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Text mining assisted review of the literature on Li-O2 batteries

Amangeldi Torayev , Pieter C M M Magusin , Clare P Grey , Céline Merlet , Alejandro Franco
Journal of Physics: Materials, 2019, 2 (4), pp.044004. ⟨10.1088/2515-7639/ab3611⟩
Article dans une revue hal-02299034 v1
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Towards an atomistic understanding of disordered carbon electrode materials

Volker L Deringer , Céline Merlet , Yuchen Hu , Tae Hoon Lee , John A Kattirtzi et al.
Chemical Communications, 2018, 54 (47), pp.5988-5991. ⟨10.1039/c8cc01388h⟩
Article dans une revue hal-01985588 v1
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Structural Characterization of the Li-Ion Battery Cathode Materials LiTixMn2– xO4 (0.2 ≤ x ≤ 1.5): A Combined Experimental 7Li NMR and First-Principles Study

Roberta Pigliapochi , Ieuan D Seymour , Céline Merlet , Andrew Pell , Denissa T Murphy et al.
Chemistry of Materials, 2018, 30 (3), pp.817-829. ⟨10.1021/acs.chemmater.7b04314⟩
Article dans une revue hal-01985629 v1
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Stochasticity of Pores Interconnectivity in Li-O2 Batteries and its Impact on the Variations in Electrochemical Performance

Amangeldi Torayev , Alexis Rucci , Pieter C M M Magusin , Arnaud Demortière , Vincent de Andrade et al.
Journal of Physical Chemistry Letters, 2018, 9 (4), pp.791-797. ⟨10.1021/acs.jpclett.7b03315⟩
Article dans une revue hal-01986199 v1
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Direct observation of ion dynamics in supercapacitor electrodes using in situ diffusion NMR spectroscopy

Alexander C Forse , John M Griffin , Céline Merlet , Javier Carretero-Gonzalez , Abdul-Rahman O Raji et al.
Nature Energy, 2017, 2 (3)
Article dans une revue hal-01985727 v1
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Stockage de charge dans les carbones nanoporeux : l’origine moléculaire de la supercapacité

Céline Merlet , Clarisse Péan , Mathieu Salanne , Benjamin Rotenberg
L'Actualité Chimique, 2016, 408-409, pp.43-45
Article dans une revue hal-01929534 v1
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New Perspectives on the Charging Mechanisms of Supercapacitors

Alexander C Forse , Céline Merlet , John M Griffin , Clare Grey
Journal of the American Chemical Society, 2016, 138 (18), pp.5731-5744. ⟨10.1021/jacs.6b02115⟩
Article dans une revue hal-01985713 v1
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New Insights into the Structure of Nanoporous Carbons from NMR, Raman, and Pair Distribution Function Analysis

Alexander C Forse , Céline Merlet , Phoebe K Allan , Elizabeth K Humphreys , John M Griffin et al.
Chemistry of Materials, 2015, 27 (19), pp.6848-6857. ⟨10.1021/acs.chemmater.5b03216⟩
Article dans une revue hal-01985735 v1
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NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors

Alexander C Forse , John M Griffin , Céline Merlet , Paul M Bayley , Hao Wang et al.
Journal of the American Chemical Society, 2015, 137 (22), pp.7231-7242. ⟨10.1021/jacs.5b03958⟩
Article dans une revue hal-01986010 v1
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Single Electrode Capacitances of Porous Carbons in Neat Ionic Liquid Electrolyte at 100 C: A Combined Experimental and Modeling Approach

Clarisse Péan , Barbara Daffos , Céline Merlet , Benjamin Rotenberg , Pierre-Louis Taberna et al.
Journal of The Electrochemical Society, 2015, vol. 162 (n° 5), pp. A5091-A5095. ⟨10.1149/2.0151505jes⟩
Article dans une revue hal-01446690 v1
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Lattice simulation method to model diffusion and NMR spectra in porous materials

Céline Merlet , Alexander C Forse , John M Griffin , Daan Frenkel , Clare Grey
The Journal of Chemical Physics, 2015, 142 (9), pp.094701
Article dans une revue hal-01985699 v1
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The electric double layer has a life of its own

Céline Merlet , David T. Limmer , Mathieu Salanne , René van Roij , Paul A Madden et al.
Journal of Physical Chemistry C, 2014, 118 (32), pp.18291. ⟨10.1021/jp503224w⟩
Article dans une revue hal-00968897 v2
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On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors

Clarisse Péan , Céline Merlet , Benjamin Rotenberg , Paul Anthony Madden , Pierre-Louis Taberna et al.
ACS Nano, 2014, vol. 8 (n° 2), pp.1576-1583. ⟨10.1021/nn4058243⟩
Article dans une revue hal-01116494 v1
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Highly confined ions store charge more efficiently in supercapacitors

Céline Merlet , Clarisse Péan , Benjamin Rotenberg , Paul Anthony Madden , Barbara Daffos et al.
Nature Communications, 2013, vol. 4 (n° 2701), pp. 1-6. ⟨10.1038/ncomms3701⟩
Article dans une revue hal-01157828 v1
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Influence of solvation on the structural and capacitive properties of electrical double layer capacitors

Céline Merlet , Mathieu Salanne , Benjamin Rotenberg , Paul A Madden
Electrochimica Acta, 2013, 101, pp.262-271. ⟨10.1016/j.electacta.2012.12.107⟩
Article dans une revue hal-00853396 v1
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Charge fluctuations in nano-scale capacitors

David T. Limmer , Céline Merlet , Mathieu Salanne , David Chandler , Paul A Madden et al.
Physical Review Letters, 2013, 111, pp.106102. ⟨10.1103/PhysRevLett.111.106102⟩
Article dans une revue hal-00839655 v1
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Computer simulations of ionic liquids at electrochemical interfaces.

Céline Merlet , Benjamin Rotenberg , Paul A Madden , Mathieu Salanne
Physical Chemistry Chemical Physics, 2013, 15 (38), pp.15781-92. ⟨10.1039/c3cp52088a⟩
Article dans une revue hal-00862346 v1
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Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?

Céline Merlet , Clarisse Péan , Benjamin Rotenberg , Paul A Madden , Patrice Simon et al.
Journal of Physical Chemistry Letters, 2013, 4 (2), pp.264-268. ⟨10.1021/jz3019226⟩
Article dans une revue hal-00854038 v1
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New Coarse-Grained Models of Imidazolium Ionic Liquids for Bulk and Interfacial Molecular Simulations

Céline Merlet , Mathieu Salanne , Benjamin Rotenberg
Journal of Physical Chemistry C, 2012, 116 (14), pp.7687-7693. ⟨10.1021/jp3008877⟩
Article dans une revue hal-00854033 v1
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On the molecular origin of supercapacitance in nanoporous carbon electrodes

Céline Merlet , Benjamin Rotenberg , Paul Anthony Madden , Pierre-Louis Taberna , Patrice Simon et al.
Nature Materials, 2012, vol. 11 (n° 4), pp. 306-310. ⟨10.1038/NMAT3260⟩
Article dans une revue hal-01153072 v1
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Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations

Céline Merlet , Mathieu Salanne , Benjamin Rotenberg , Paul A Madden
Journal of Physical Chemistry C, 2011, 115 (33), pp.16613-16618. ⟨10.1021/jp205461g⟩
Article dans une revue hal-00854030 v1
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Thermal conductivity of ionic systems from equilibrium molecular dynamics

Mathieu Salanne , Dario Marrocchelli , Céline Merlet , Norikazu Ohtori , Paul A. Madden
Journal of Physics: Condensed Matter, 2011, 23 (10), pp.102101
Article dans une revue hal-01985997 v1
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Internal mobilities and diffusion in an ionic liquid mixture

Céline Merlet , Paul A. Madden , Mathieu Salanne
Physical Chemistry Chemical Physics, 2010, 12 (42), pp.14109
Article dans une revue hal-01985971 v1
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Modélisation de l'adsorption des ions dans les carbones nanoporeux

Céline Merlet
Chimie théorique et/ou physique. Université Pierre et Marie Curie - Paris VI, 2013. Français. ⟨NNT : ⟩
Thèse tel-00872938 v1