Publicaciones Thesis and dissertations (2) Simulations of ion adsorption in nanoporous carbons to investigate the relationship between structure-performance in supercapacitors Autores: Lahrar, El Hassane Publicado en: Chimie théorique et/ou physique. Université Toulouse III - Paul Sabatier, 2020., 2020 Editor: Université Toulouse III - Paul Sabatier Towards the development of a new theoretical method to determine precisely the structure of disordered porous carbons Autores: Anagha Sasikumar Publicado en: Chimie théorique et/ou physique. Université Toulouse III - Paul Sabatier, 2022., 2022 Editor: Université Toulouse III - Paul Sabatier Peer reviewed articles (17) Elucidating curvature-capacitance relationships in carbon-based supercapacitors Autores: J. Seebeck, C. Merlet, R. H. Meißner Publicado en: Physical Review Letters, 2022, ISSN 1079-7114 Editor: American Physical Society DOI: 10.1103/physrevlett.128.086001 Effects of functional groups and anion size on the charging mechanisms in layered electrode materials Autores: Kui Xu, Céline Merlet, Zifeng Lin, Hui Shao, Pierre-Louis Taberna, Ling Miao, Jianjun Jiang, Jixin Zhu, Patrice Simon Publicado en: Energy Storage Materials, Issue 33, 2020, Page(s) 460-469, ISSN 2405-8297 Editor: Elsevier DOI: 10.1016/j.ensm.2020.08.030 Stochasticity of Pores Interconnectivity in Li–O 2 Batteries and its Impact on the Variations in Electrochemical Performance Autores: Amangeldi Torayev, Alexis Rucci, Pieter C. M. M. Magusin, Arnaud Demortière, Vincent De Andrade, Clare P. Grey, Céline Merlet, Alejandro A. Franco Publicado en: The Journal of Physical Chemistry Letters, Issue 9/4, 2018, Page(s) 791-797, ISSN 1948-7185 Editor: American Chemical Society DOI: 10.1021/acs.jpclett.7b03315 Towards an atomistic understanding of disordered carbon electrode materials Autores: Volker L. Deringer, Céline Merlet, Yuchen Hu, Tae Hoon Lee, John A. Kattirtzi, Oliver Pecher, Gábor Csányi, Stephen R. Elliott, Clare P. Grey Publicado en: Chemical Communications, Issue 54/47, 2018, Page(s) 5988-5991, ISSN 1359-7345 Editor: Royal Society of Chemistry DOI: 10.1039/c8cc01388h Importance of Incorporating Explicit 3D-Resolved Electrode Mesostructures in Li–O 2 Battery Models Autores: Amangeldi Torayev, Pieter C. M. M. Magusin, Clare P. Grey, Céline Merlet, Alejandro A. Franco Publicado en: ACS Applied Energy Materials, Issue 1/11, 2018, Page(s) 6433-6441, ISSN 2574-0962 Editor: American Chemical Society DOI: 10.1021/acsaem.8b01392 Carbons with Regular Pore Geometry Yield Fundamental Insights into Supercapacitor Charge Storage Autores: Yifei Michelle Liu, Céline Merlet, Berend Smit Publicado en: ACS Central Science, Issue 11/5, 2019, Page(s) 1813-1823, ISSN 2374-7951 Editor: American Chemical Society DOI: 10.1021/acscentsci.9b00800 Text mining assisted review of the literature on Li-O 2 batteries Autores: Amangeldi Torayev, Pieter C M M Magusin, Clare P Grey, Céline Merlet, Alejandro A Franco Publicado en: Journal of Physics: Materials, Issue 2/4, 2019, Page(s) 044004, ISSN 2515-7639 Editor: IOP Science DOI: 10.1088/2515-7639/ab3611 On the development of an original mesoscopic model to predict the capacitive properties of carbon-carbon supercapacitors Autores: Anouar Belhboub, El Hassane Lahrar, Patrice Simon, Céline Merlet Publicado en: Electrochimica Acta, Issue 327, 2019, Page(s) 135022, ISSN 0013-4686 Editor: Pergamon Press Ltd. DOI: 10.1016/j.electacta.2019.135022 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 Autores: El Hassane Lahrar, Anouar Belhboub, Patrice Simon, Céline Merlet Publicado en: ACS Applied Materials & Interfaces, Issue 12/1, 2019, Page(s) 1789-1798, ISSN 1944-8244 Editor: American Chemical Society DOI: 10.1021/acsami.9b16740 Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons Autores: Dimitrios Kilymis, Albert P. Bartók, Chris J. Pickard, Alexander C. Forse, Celine Merlet Publicado en: Physical Chemistry Chemical Physics, 2020, ISSN 1463-9076 Editor: Royal Society of Chemistry DOI: 10.1039/d0cp01705a Local distortions and dynamics in hydrated Y-doped BaZrO$_3$ Autores: Torayev, Amangeldi; Sperrin, Luke; Gomez, Maria A; Kattirtzi, John; Merlet, Celine; Grey, Clare Publicado en: The Journal of Physical Chemistry C, Issue 124, 2020, Page(s) 16689, ISSN 1932-7447 Editor: American Chemical Society DOI: 10.17863/cam.54388 Carbon-carbon supercapacitors: Beyond the average pore size or how electrolyte confinement and inaccessible pores affect the capacitance Autores: El Hassane Lahrar, Patrice Simon, Celine Merlet Publicado en: The Journal of Chemical Physics, 2021, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/5.0065150 Understanding the Chemical Shifts of Aqueous Electrolyte Species Adsorbed in Carbon Nanopores Autores: Anagha Sasikumar, John M. Griffin, Céline Merlet Publicado en: Journal of Physical Chemistry Letters, Issue 13, 2022, Page(s) 8953, ISSN 1948-7185 Editor: American Chemical Society DOI: 10.1021/acs.jpclett.2c02260 Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: electronic structure and adsorbent reorganisation effects Autores: Anagha Sasikumar, Anouar Belhboub, Camille Bacon, Alexander C. Forse, John M. Griffin, Clare P. Grey, Patrice Simon, Céline Merlet Publicado en: Physical Chemistry Chemical Physics, Issue 23/30, 2021, Page(s) 15925-15934, ISSN 1463-9076 Editor: Royal Society of Chemistry DOI: 10.1039/d1cp02130c Simulations of Ionic Liquids Confined in Surface Functionalized Nanoporous Carbons: Implications for Energy Storage Autores: El Hassane Lahrar, Irena Deroche, Camélia Matei Ghimbeu, Patrice Simon, Céline Merlet Publicado en: ACS Applied Nano Materials, Issue 4, 2021, Page(s) 4007, ISSN 2574-0970 Editor: American Chemical Society DOI: 10.1021/acsanm.1c00342 Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O 2 Cathodes on Discharge through a Combined Experimental and Theoretical Approach Autores: Amangeldi Torayev, Simon Engelke, Zeliang Su, Lauren E. Marbella, Vincent De Andrade, Arnaud Demortière, Pieter C. M. M. Magusin, Céline Merlet, Alejandro A. Franco, Clare P. Grey Publicado en: The Journal of Physical Chemistry C, Issue 125/9, 2021, Page(s) 4955-4967, ISSN 1932-7447 Editor: American Chemical Society DOI: 10.1021/acs.jpcc.0c10417 Computational Insights into Charge Storage Mechanisms of Supercapacitors Autores: Kui Xu, Hui Shao, Zifeng Lin, Céline Merlet, Guang Feng, Jixin Zhu, Patrice Simon Publicado en: ENERGY & ENVIRONMENTAL MATERIALS, Issue 3/3, 2020, Page(s) 235-246, ISSN 2575-0356 Editor: Wiley DOI: 10.1002/eem2.12124 Buscando datos de OpenAIRE... Se ha producido un error en la búsqueda de datos de OpenAIRE No hay resultados disponibles
