Céline Merlet

Publications

Article dans une revue (51)

Mesoscale simulations of aqueous suspension-based electrophoretic coating process Mélina Noblesse,Lisa Pin,Sandrine Duluard,Florence Ansart,Céline Merlet Open Ceramics, 2025, 21, pp.100722. ⟨10.1016/j.oceram.2024.100722⟩ Article dans une revue hal-04870522v1
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-05060836v1
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, 2025, 255, pp.355. ⟨10.1039/d4fd00082j⟩ Article dans une revue hal-04759139v1
Structural disorder determines capacitance in nanoporous carbons Xinyu Liu,Dongxun Lyu,Céline Merlet,Matthew J A Leesmith,Xiao Huaet al. Science, 2024, 384 (6693), pp.321-325. ⟨10.1126/science.adn6242⟩ Article dans une revue hal-04650660v1
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-04759150v1
MXene Inks for High‐Throughput Printing of Electronics Sina Abdolhosseinzadeh,René Schneider,Mohammad Jafarpour,Céline Merlet,Frank Nüeschet al. Advanced Electronic Materials, 2024, pp.2400170. ⟨10.1002/aelm.202400170⟩ Article dans une revue hal-04759094v1
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-04650682v1
Materials challenges for supercapacitors Hyun-Kyung Kim,Aiping Yu,Magda Titirici,Céline Merlet,Yihua Gaoet al. APL Materials, 2023, 11 (7), ⟨10.1063/5.0162575⟩ Article dans une revue hal-04303273v1
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-04131515v1
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-04130794v1
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-04268559v1
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-04235008v1
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-03792747v1
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-03588862v1
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-03206263v1
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-03187295v1
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 Griffinet al. Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP02130C⟩ Article dans une revue hal-03290201v1
Carbon-carbon supercapacitors: Beyond the average pore size or how electrolyte confinement and inaccessible pores affect the capacitance El Hassane Lahrar,Patrice Simon,Céline Merlet The Journal of Chemical Physics, 2021, 155, pp.184703. ⟨10.1063/5.0065150⟩ Article dans une revue hal-03388764v1
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 Andradeet al. Journal of Physical Chemistry C, 2021, ⟨10.1021/acs.jpcc.0c10417⟩ Article dans une revue hal-03154222v1
Computational Insights into Charge Storage Mechanisms of Supercapacitors Kui Xu,Hui Shao,Zifeng Lin,Céline Merlet,Guang Fenget al. ENERGY & ENVIRONMENTAL MATERIALS, 2020, 3 (3), pp.235-246. ⟨10.1002/eem2.12124⟩ Article dans une revue hal-02955559v1
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-02863990v1
Local Distortions and Dynamics in Hydrated Y-Doped BaZrO3 Amangeldi Torayev,Luke Sperrin,Maria A. Gomez,John A. Kattirtzi,Céline Merletet al. Journal of Physical Chemistry C, 2020, 124 (30), pp.16689-16701. ⟨10.1021/acs.jpcc.0c04594⟩ Article dans une revue hal-03033083v2
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 Tabernaet al. Energy Storage Materials, 2020, ⟨10.1016/j.ensm.2020.08.030⟩ Article dans une revue hal-02933837v1
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-02322514v1
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-02373268v1
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-02863066v1
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-02299034v1
Towards an atomistic understanding of disordered carbon electrode materials Volker L Deringer,Céline Merlet,Yuchen Hu,Tae Hoon Lee,John A Kattirtziet al. Chemical Communications, 2018, 54 (47), pp.5988-5991. ⟨10.1039/c8cc01388h⟩ Article dans une revue hal-01985588v1
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 Murphyet al. Chemistry of Materials, 2018, 30 (3), pp.817-829. ⟨10.1021/acs.chemmater.7b04314⟩ Article dans une revue hal-01985629v1
Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two-Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study Kui Xu,Zifeng Lin,Céline Merlet,Pierre-Louis Taberna,Ling Miaoet al. ChemSusChem, 2018, Interfacing Theory and Experiment, 11 (12), pp.1892-1899. ⟨10.1002/cssc.201702068⟩ Article dans une revue hal-02025131v2
On the importance of Incorporating Explicit 3D-Resolved Electrode Mesostructures in Li–O2 Battery Models Amangeldi Torayev,Pieter C. M. M. Magusin,Clare P. Grey,Céline Merlet,Alejandro A. Franco ACS Applied Energy Materials, 2018, 1 (11), pp.6433-6441. ⟨10.1021/acsaem.8b01392⟩ Article dans une revue hal-01999063v1
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 Andradeet al. Journal of Physical Chemistry Letters, 2018, 9 (4), pp.791-797. ⟨10.1021/acs.jpclett.7b03315⟩ Article dans une revue hal-01986199v1
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 Rajiet al. Nature Energy, 2017, 2 (3) Article dans une revue hal-01985727v1
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-01985713v1
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-01929534v1
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 Griffinet al. Chemistry of Materials, 2015, 27 (19), pp.6848-6857. ⟨10.1021/acs.chemmater.5b03216⟩ Article dans une revue hal-01985735v1
NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors Alexander C Forse,John M Griffin,Céline Merlet,Paul M Bayley,Hao Wanget al. Journal of the American Chemical Society, 2015, 137 (22), pp.7231-7242. ⟨10.1021/jacs.5b03958⟩ Article dans une revue hal-01986010v1
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 Tabernaet al. Journal of The Electrochemical Society, 2015, vol. 162 (n° 5), pp. A5091-A5095. ⟨10.1149/2.0151505jes⟩ Article dans une revue hal-01446690v1
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-01985699v1
The electric double layer has a life of its own Céline Merlet,David T. Limmer,Mathieu Salanne,René van Roij,Paul A Maddenet al. Journal of Physical Chemistry C, 2014, 118 (32), pp.18291. ⟨10.1021/jp503224w⟩ Article dans une revue hal-00968897v2
On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors Clarisse Péan,Céline Merlet,Benjamin Rotenberg,Paul Anthony Madden,Pierre-Louis Tabernaet al. ACS Nano, 2014, vol. 8 (n° 2), pp.1576-1583. ⟨10.1021/nn4058243⟩ Article dans une revue hal-01116494v1
Highly confined ions store charge more efficiently in supercapacitors Céline Merlet,Clarisse Péan,Benjamin Rotenberg,Paul Anthony Madden,Barbara Daffoset al. Nature Communications, 2013, vol. 4 (n° 2701), pp. 1-6. ⟨10.1038/ncomms3701⟩ Article dans une revue hal-01157828v1
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-00853396v1
Charge fluctuations in nano-scale capacitors David T. Limmer,Céline Merlet,Mathieu Salanne,David Chandler,Paul A Maddenet al. Physical Review Letters, 2013, 111, pp.106102. ⟨10.1103/PhysRevLett.111.106102⟩ Article dans une revue hal-00839655v1
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-00862346v1
Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces? Céline Merlet,Clarisse Péan,Benjamin Rotenberg,Paul A Madden,Patrice Simonet al. Journal of Physical Chemistry Letters, 2013, 4 (2), pp.264-268. ⟨10.1021/jz3019226⟩ Article dans une revue hal-00854038v1
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-00854033v1
On the molecular origin of supercapacitance in nanoporous carbon electrodes Céline Merlet,Benjamin Rotenberg,Paul Anthony Madden,Pierre-Louis Taberna,Patrice Simonet al. Nature Materials, 2012, vol. 11 (n° 4), pp. 306-310. ⟨10.1038/NMAT3260⟩ Article dans une revue hal-01153072v1
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-00854030v1
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-01985997v1
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-01985971v1

Thèse (1)

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-00872938v1