Romain DUPUIS Chargé de recherche CNRS

Identifiants chercheurs

IdHAL :

romain-dupuis

ORCID :

0000-0001-9451-1132

IdRef :

189563281

Publications

Article dans une revue (25)

Ion docking drives HER carbon-based electrocatalyst performance Javier Quílez-Bermejo,Romain Dupuis,Rafael Canevesi,Katerina Ioannidou,Alain Celzardet al. Carbon, 2025, 241, pp.120383. ⟨10.1016/j.carbon.2025.120383⟩ Article dans une revue hal-05220983v1
Pore-Scale Textural Changes upon Ion Adsorption in Voltage-Polarized Nanoporous Carbon Electrodes Romain Dupuis,Katerina Ioannidou,Roland J.-M. Pellenq PRX Energy, 2025, 4 (2), pp.023001. ⟨10.1103/prxenergy.4.023001⟩ Article dans une revue hal-05368239v1
Insight into the effect of electrolyte ions docked in subnanopores of metal-free carbon cathode on the ORR activity Marc Florent,Romain Dupuis,Katerina Ioannidou,Roland J.M. Pellenq,Teresa J Bandosz Carbon, 2025, 239, pp.120324. ⟨10.1016/j.carbon.2025.120324⟩ Article dans une revue hal-05368265v1
Pressure and temperature diagram of C&lt;sub&gt;60&lt;/sub&gt; from atomistic simulations Karim Hakim,Romain Dupuis,Christophe Bichara,R.-J.-M. Pellenq The Journal of Chemical Physics, 2024, 161 (9), ⟨10.1063/5.0213022⟩ Article dans une revue hal-04735903v1
Collective molecular-scale carbonation path in aqueous solutions with sufficient structural sampling: From CO2 to CaCO3 Xinping Zhu,Romain Dupuis,Roland J.-M. Pellenq,Katerina Ioannidou The Journal of Chemical Physics, 2024, 161 (18), pp.184502. ⟨10.1063/5.0228805⟩ Article dans une revue hal-04866277v1
Efficient PFAS Removal Using Reusable and Non‐Toxic 3D Printed Porous Trianglamine Hydrogels Arnaud Chaix,Chaimaa Gomri,Belkacem Tarek Benkhaled,Michel Habib,Romain Dupuiset al. Advanced Materials, 2024, ⟨10.1002/adma.202410720⟩ Article dans une revue hal-04866268v1
Machine learning potential for modelling H&lt;sub&gt;2&lt;/sub&gt; adsorption/diffusion in MOFs with open metal sites Shanping Liu,Romain Dupuis,Dong Fan,Salma Benzaria,Mickaele Bonneauet al. Chemical Science, 2024, 15 (14), pp.5294-5302. ⟨10.1039/D3SC05612K⟩ Article dans une revue hal-04760391v1
Optimal CO2 intake in metastable water film in mesoporous materials Gen Li,Yong Tao,Xinping Zhu,Yining Gao,Peiliang Shenet al. Nature Communications, 2024, 15 (1), pp.10790. ⟨10.1038/s41467-024-55125-w⟩ Article dans une revue hal-04866242v1
Selective Water Pore Recognition and Transport through Self-Assembled Alkyl-Ureido-Trianglamine Artificial Water Channels Iuliana M Andrei,Arnaud Chaix,Belkacem Tarek Benkhaled,Romain Dupuis,Chaimaa Gomriet al. Journal of the American Chemical Society, In press, ⟨10.1021/jacs.3c02815⟩ Article dans une revue hal-04223106v1
A squarate-pillared titanium oxide quantum sieve towards practical hydrogen isotope separation Qingqing Yan,Jing Wang,Linda Zhang,Jiaqi Liu,Mohammad Wahiduzzamanet al. Nature Communications, 2023, 14 (1), pp.4189. ⟨10.1038/s41467-023-39871-x⟩ Article dans une revue hal-04182483v1
Condensation and growth of amorphous aluminosilicate nanoparticles via an aggregation process Romain Dupuis,Seung Ho Hahn,Adri van Duin,Roland J.M. Pellenq,Arnaud Poulesquen Physical Chemistry Chemical Physics, 2022, 24 (16), pp.9229 - 9235. ⟨10.1039/d1cp05412k⟩ Article dans une revue hal-03920322v1
How chemical defects influence the charging of nanoporous carbon supercapacitors Romain Dupuis,Pierre-Louis Valdenaire,Roland Pellenq,Katerina Ioannidou Proceedings of the National Academy of Sciences of the United States of America, 2022, 119 (17), pp.121945119. ⟨10.1073/pnas.2121945119⟩ Article dans une revue hal-03920236v2
Alkali silica reaction: a view from the nanoscale Romain Dupuis,Roland J.-M. Pellenq Cement and Concrete Research, 2022, 152, pp.106652. ⟨10.1016/j.cemconres.2021.106652⟩ Article dans une revue hal-03920284v1
Unravelling the pore network and gas dynamics in highly adaptive rubbery organic frameworks Romain Dupuis,Mihail Barboiu,Guillaume Maurin Chemical Science, 2022, 13 (18), pp.5141-5147. ⟨10.1039/d2sc01355j⟩ Article dans une revue hal-03681585v1
Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates Romain Dupuis,Juhyuk Moon,Yeonung Jeong,Rae Taylor,Sung-Hoon Kanget al. Cement and Concrete Research, 2021, 142, pp.106356. ⟨10.1016/j.cemconres.2021.106356⟩ Article dans une revue hal-05379429v1
Dissociation mechanisms of dissolved alkali silicates in sodium hydroxide Romain Dupuis,Roland J.-M. Pellenq,Jean-Baptiste Champenois,Arnaud Poulesquen Journal of Physical Chemistry C, 2020, 124 (15), pp.8288-8294. ⟨10.1021/acs.jpcc.0c01495⟩ Article dans une revue cea-03331870v1
Time resolved alkali silicate decondensation by sodium hydroxide solution Romain Dupuis,Donatien Gomes Rodrigues,Jean-Baptiste Champenois,Roland Pellenq,Arnaud Poulesquen Journal of Physics: Materials, 2020, 3 (1), pp.014012. ⟨10.1088/2515-7639/ab5ce9⟩ Article dans une revue hal-02429563v1
Molecular simulation of silica gels: Formation, dilution, and drying Romain Dupuis,Laurent Karim Beland,Roland J.-M. Pellenq Physical Review Materials, 2019, 3 (7), ⟨10.1103/PhysRevMaterials.3.075603⟩ Article dans une revue hal-02291526v1
Tracing Polymerization in Calcium Silicate Hydrates Using Si Isotopic Fractionation Romain Dupuis,Jorge Dolado,Jose Surga,Andrés Ayuela Journal of Physical Chemistry C, 2018, 122 (15), pp.8356-8363. ⟨10.1021/acs.jpcc.8b00307⟩ Article dans une revue hal-02293588v1
Doping as a Way To Protect Silicate Chains in Calcium Silicate Hydrates Romain Dupuis,Jorge Dolado,Jose Surga,Andrés Ayuela ACS Sustainable Chemistry & Engineering, 2018, 6 (11), pp.15015-15021. ⟨10.1021/acssuschemeng.8b03488⟩ Article dans une revue hal-02293587v1
Quantum Nuclear Dynamics of Protons within Layered Hydroxides at High Pressure Romain Dupuis,Jorge Dolado,Magali Benoit,Jose Surga,Andrés Ayuela Scientific Reports, 2017, 7 (1), pp.4842. ⟨10.1038/s41598-017-04080-2⟩ Article dans une revue hal-01821328v1
Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li + (aq) Romain Dupuis,Magali Benoit,Mark Tuckerman,Merlin Meheut Accounts of Chemical Research, 2017, 50 (7), pp.1597 - 1605. ⟨10.1021/acs.accounts.6b00607⟩ Article dans une revue hal-01743607v1
Fractionation of silicon isotopes in liquids: The importance of configurational disorder Romain Dupuis,Magali Benoit,Elise Nardin,Merlin Méheut Chemical Geology, 2015, 396, pp.239-254. ⟨10.1016/j.chemgeo.2014.12.027⟩ Article dans une revue istex hal-01765160v1
Efficient calculation of free energy differences associated with isotopic substitution using path-integral molecular dynamics Ondrej Marsalek,Pei-Yang Chen,Romain Dupuis,Magali Benoit,Merlin Méheutet al. Journal of Chemical Theory and Computation, 2014, 10 (4), pp.1440-1453. ⟨10.1021/ct400911m⟩ Article dans une revue hal-01765162v1
Development of Monte-Carlo simulations for nano-patterning surfaces associated with MM-EPES analysis Application to different Si (111) nanoporous surfaces Christine Robert-Goumet,M.A. Mahjoub,G. Monier,Luc Bideux,S. Cheldaet al. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2013, 618, pp.72-77 Article dans une revue hal-00919579v1

Thèse (1)

Calculs réalistes du fractionnement isotopique du silicium et du lithium pour des équilibres impliquant des phases liquides Romain Dupuis Planète et Univers [physics]. Universit´e Toulouse 3 Paul Sabatier (UT3 Paul Sabatier), 2014. Français. ⟨NNT : 2014TOU30310⟩ Thèse tel-01824462v1