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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-00854030v1
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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-01985713v1
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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-01116494v1
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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-03206263v1
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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-02322514v1
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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-01985588v1
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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-01985735v1
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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-02955559v1
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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-00968897v2
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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-01985629v1
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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-02863990v1
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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-01986010v1
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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-00854033v1
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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
Journal of Chemical Physics, 2021, 155, pp.184703. ⟨10.1063/5.0065150⟩
Article dans une revue hal-03388764v1
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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-00854038v1
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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-01985997v1
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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-00862346v1
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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-02863066v1
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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-02373268v1
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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-01157828v1
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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-03187295v1
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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-01985971v1
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Direct observation of ion dynamics in supercapacitor electrodes using in situ diiusion 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-01985727v1
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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-01929534v1

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-04303273v1
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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-02299034v1
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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-03290201v1
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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-03792747v1
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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-03588862v1
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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-04131515v1