CM
Céline Merlet
cond-mat.mtrl-sciphysics.chem-phAdsorptioncond-mat.softDiffusionionic liquidsmolecular dynamicsPorous carbonsChemical exchangecond-mat.stat-mech
On Valency
published · living versionsW_mqjg69ch·v1 · currentpublished
Long-time Brownian dynamics of hard and sticky colloids by geometric projection
with Rémi Martin, Sandrine Duluard
1 version
Preprints & journals
41 papers in the corpus · 2010–2026Distinguishing sodium-ion penetration and sustained transport in realistic hard carbon nanostructures2610.02411v1 · Carolina Cruz-Cardona, Andreea Hedes, Patrick Rowe et al.2026 · 0 citationsarXiv
The effect of van der Waals interaction on the microstructure of EPD deposits: A simulation study.42546282 · Martin, Rémi, Duluard, Sandrine, Merlet, Céline2026 · 0 citationsThe Journal of chemical physics. 2026;165(5)
Highly disordered nanoporous carbons for enhanced energy storage in supercapacitors.42009675 · Liu, Xinyu, Hunter, Robert D, Xu, Zhen et al.2026 · 7 citationsNature communications. 2026;17(1)
LPC3D: An Enhanced Parallel Software for Large-Scale Simulation of Adsorption in Porous Carbons and Supercapacitors2603.22553v1 · El Hassane Lahrar, Mathieu Salanne, Rudolf Weeber et al.2026 · 0 citationsarXiv
Effect of Gold Substrate on the Interface between Graphene Monolayer and an Ionic Liquid.40255979 · Gaudy, Nicolas, Salanne, Mathieu, Merlet, Céline2025 · 2 citationsACS nanoscience Au. 2025;5(2):84-92
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.39282768 · Lahrar, El Hassane, Merlet, Céline2025 · 5 citationsFaraday discussions. 2025;255(0):355-369
Generating models that describe complex disorder: general discussion.39635722 · Ashbrook, Sharon E, Blanc, Frédéric, Brown, Steven P et al.2026 · 1 citationFaraday discussions. 2025;255(0):391-410
Dynamics and Energetics of Ion Adsorption at the Interface between a Pure Ionic Liquid and Carbon Electrodes.38738820 · Gaudy, Nicolas, Salanne, Mathieu, Merlet, Céline2024 · 6 citationsThe journal of physical chemistry. B. 2024;128(20):5064-5071
Structural disorder determines capacitance in nanoporous carbons.38635707 · Liu, Xinyu, Lyu, Dongxun, Merlet, Céline et al.2024 · 432 citationsScience (New York, N.Y.). 2024;384(6693):321-325
Investigating particle size effects on NMR spectra of ions diffusing in porous carbons through a mesoscopic model.37329858 · Sasikumar, Anagha, Merlet, Céline2023 · 5 citationsSolid state nuclear magnetic resonance. 2023;126:101883
On the key role of electrolyte-electrode van der Waals interactions in the simulation of ionic liquids-based supercapacitors10.26434/chemrxiv-2022-v2sm6 · Camille Bacon, Alessandra Serva, Celine Merlet et al.2022 · 25 citationsChemRxiv
Understanding the Chemical Shifts of Aqueous Electrolyte Species Adsorbed in Carbon Nanopores.36135796 · Sasikumar, Anagha, Griffin, John M, Merlet, Céline2022 · 7 citationsThe journal of physical chemistry letters. 2022;13(38):8953-8962
Elucidating Curvature-Capacitance Relationships in Carbon-Based Supercapacitors.35275675 · Seebeck, Jannes, Merlet, Céline, Meißner, Robert H2022 · 23 citationsPhysical review letters. 2022;128(8):086001
Carbon-carbon supercapacitors: Beyond the average pore size or how electrolyte confinement and inaccessible pores affect the capacitance.34773950 · Lahrar, El Hassane, Simon, Patrice, Merlet, Céline2021 · 43 citationsThe Journal of chemical physics. 2021;155(18):184703
Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: electronic structure and adsorbent reorganisation effects.34286771 · Sasikumar, Anagha, Belhboub, Anouar, Bacon, Camille et al.2025 · 11 citationsPhysical chemistry chemical physics : PCCP. 2021;23(30):15925-15934
NMR studies of adsorption and diffusion in porous carbonaceous materials.34479711 · Forse, Alexander C, Merlet, Céline, Grey, Clare P et al.2021 · 60 citationsProgress in nuclear magnetic resonance spectroscopy. 2021;124-125:57-84
Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O2 Cathodes on Discharge through a Combined Experimental and Theoretical Approach.33763164 · Torayev, Amangeldi, Engelke, Simon, Su, Zeliang et al.2021 · 29 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2021;125(9):4955-4967
On the effect of surface functional groups on the structural and dynamical properties of an ionic liquid confined in zeolite templated carbons studied through molecular simulations2101.07355v1 · El Hassane Lahrar, Irena Deroche, Cam'elia Matei Ghimbeu et al.2021 · 0 citationsarXiv
Efficient prediction of nucleus independent chemical shifts for polycyclic aromatic hydrocarbons.32537616 · Kilymis, Dimitrios, Bartók, Albert P, Pickard, Chris J et al.2020 · 17 citationsPhysical chemistry chemical physics : PCCP. 2020;22(24):13746-13755
Local Distortions and Dynamics in Hydrated Y-Doped BaZrO3.32765802 · Torayev, Amangeldi, Sperrin, Luke, Gomez, Maria A et al.2020 · 30 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2020;124(30):16689-16701
Ionic Liquids under Confinement: From Systematic Variations of the Ion and Pore Sizes toward an Understanding of the Structure and Dynamics in Complex Porous Carbons.31805764 · Lahrar, El Hassane, Belhboub, Anouar, Simon, Patrice et al.2020 · 63 citationsACS applied materials & interfaces. 2020;12(1):1789-1798
Carbons with Regular Pore Geometry Yield Fundamental Insights into Supercapacitor Charge Storage.31807683 · Liu, Yifei Michelle, Merlet, Céline, Smit, Berend2023 · 73 citationsACS central science. 2019;5(11):1813-1823
On the development of an original mesoscopic model to predict the capacitive properties of carbon-carbon supercapacitors1910.02663v1 · Anouar Belhboub, El Hassane Lahrar, Patrice Simon et al.2019 · 21 citationsarXiv
Charge storage in nanoporous carbons: The molecular origin of supercapacitance1811.09097v1 · C'eline Merlet (PHENIX, RS2E), Clarisse P'ean (PHENIX et al.2018 · 0 citationsL'Actualit{\'e} Chimique, Soci{\'e}t{\'e} chimique de France, 2016, pp.43-45
Towards an atomistic understanding of disordered carbon electrode materials.29790508 · Deringer, Volker L, Merlet, Céline, Hu, Yuchen et al.2018 · 132 citationsChemical communications (Cambridge, England). 2018;54(47):5988-5991
Stochasticity of Pores Interconnectivity in Li-O2 Batteries and its Impact on the Variations in Electrochemical Performance.29341616 · Torayev, Amangeldi, Rucci, Alexis, Magusin, Pieter C M M et al.2018 · 53 citationsThe journal of physical chemistry letters. 2018;9(4):791-797
Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two-Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study.29211947 · Xu, Kui, Lin, Zifeng, Merlet, Céline et al.2019 · 80 citationsChemSusChem. 2018;11(12):1892-1899
New Perspectives on the Charging Mechanisms of Supercapacitors.27031622 · Forse, Alexander C, Merlet, Céline, Griffin, John M et al.2018 · 732 citationsJournal of the American Chemical Society. 2016;138(18):5731-44
NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors.25973552 · Forse, Alexander C, Griffin, John M, Merlet, Céline et al.2015 · 232 citationsJournal of the American Chemical Society. 2015;137(22):7231-42
Lattice simulation method to model diffusion and NMR spectra in porous materials.25747093 · Merlet, Céline, Forse, Alexander C, Griffin, John M et al.2015 · 43 citationsThe Journal of chemical physics. 2015;142(9):094701
The electric double layer has a life of its own1404.0343v2 · C'eline Merlet, David T. Limmer, Mathieu Salanne (RS2E et al.2014 · 233 citationsJournal of Physical Chemistry C 118, 32 (2014) 18291
On the dynamics of charging in nanoporous carbon-based supercapacitors.24417256 · Péan, Clarisse, Merlet, Céline, Rotenberg, Benjamin et al.2014 · 254 citationsACS nano. 2014;8(2):1576-83
Carbon electrodes for energy storage: general discussion.25407339 · Gogotsi, Yury, Guldi, Dirk, McCreery, Richard et al.2015 · 12 citationsFaraday discussions. 2014;172:239-60
Charge fluctuations in nanoscale capacitors.25166683 · Limmer, David T, Merlet, Céline, Salanne, Mathieu et al.2015 · 166 citationsPhysical review letters. 2013;111(10):106102
Computer simulations of ionic liquids at electrochemical interfaces.23985966 · Merlet, Céline, Rotenberg, Benjamin, Madden, Paul A et al.2014 · 177 citationsPhysical chemistry chemical physics : PCCP. 2013;15(38):15781-92
Influence of solvation on the structural and capacitive properties of electrical double layer capacitors1308.5495v1 · C'eline Merlet (RS2E, PECSA), Mathieu Salanne (RS2E et al.2013 · 119 citationsElectrochimica Acta 101 (2013) 262-271
Highly confined ions store charge more efficiently in supercapacitors.24165568 · Merlet, C, Péan, C, Rotenberg, B et al.2014 · 744 citationsNature communications. 2013;4:2701
Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?26283432 · Merlet, Céline, Péan, Clarisse, Rotenberg, Benjamin et al.2015 · 273 citationsThe journal of physical chemistry letters. 2013;4(2):264-8
On the molecular origin of supercapacitance in nanoporous carbon electrodes.22388172 · Merlet, Céline, Rotenberg, Benjamin, Madden, Paul A et al.2012 · 1,046 citationsNature materials. 2012;11(4):306-10
Thermal conductivity of ionic systems from equilibrium molecular dynamics.21335634 · Salanne, Mathieu, Marrocchelli, Dario, Merlet, Céline et al.2011 · 52 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2011;23(10):102101
Internal mobilities and diffusion in an ionic liquid mixture.20924524 · Merlet, Céline, Madden, Paul A, Salanne, Mathieu2011 · 33 citationsPhysical chemistry chemical physics : PCCP. 2010;12(42):14109-14
Career total: 99 works. 41 are in this corpus.
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