Structure-performance relationships in porous carbons for energy storage

Pubblicazioni

Simulations of ion adsorption in nanoporous carbons to investigate the relationship between structure-performance in supercapacitors

Autori: Lahrar, El Hassane
Pubblicato in: Chimie théorique et/ou physique. Université Toulouse III - Paul Sabatier, 2020., 2020
Editore: Université Toulouse III - Paul Sabatier

Towards the development of a new theoretical method to determine precisely the structure of disordered porous carbons

Autori: Anagha Sasikumar
Pubblicato in: Chimie théorique et/ou physique. Université Toulouse III - Paul Sabatier, 2022., 2022
Editore: Université Toulouse III - Paul Sabatier

Elucidating curvature-capacitance relationships in carbon-based supercapacitors

Autori: J. Seebeck, C. Merlet, R. H. Meißner
Pubblicato in: Physical Review Letters, 2022, ISSN 1079-7114
Editore: American Physical Society
DOI: 10.1103/physrevlett.128.086001

Effects of functional groups and anion size on the charging mechanisms in layered electrode materials

Autori: Kui Xu, Céline Merlet, Zifeng Lin, Hui Shao, Pierre-Louis Taberna, Ling Miao, Jianjun Jiang, Jixin Zhu, Patrice Simon
Pubblicato in: Energy Storage Materials, Numero 33, 2020, Pagina/e 460-469, ISSN 2405-8297
Editore: 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

Autori: Amangeldi Torayev, Alexis Rucci, Pieter C. M. M. Magusin, Arnaud Demortière, Vincent De Andrade, Clare P. Grey, Céline Merlet, Alejandro A. Franco
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 9/4, 2018, Pagina/e 791-797, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.7b03315

Towards an atomistic understanding of disordered carbon electrode materials

Autori: Volker L. Deringer, Céline Merlet, Yuchen Hu, Tae Hoon Lee, John A. Kattirtzi, Oliver Pecher, Gábor Csányi, Stephen R. Elliott, Clare P. Grey
Pubblicato in: Chemical Communications, Numero 54/47, 2018, Pagina/e 5988-5991, ISSN 1359-7345
Editore: Royal Society of Chemistry
DOI: 10.1039/c8cc01388h

Importance of Incorporating Explicit 3D-Resolved Electrode Mesostructures in Li–O 2 Battery Models

Autori: Amangeldi Torayev, Pieter C. M. M. Magusin, Clare P. Grey, Céline Merlet, Alejandro A. Franco
Pubblicato in: ACS Applied Energy Materials, Numero 1/11, 2018, Pagina/e 6433-6441, ISSN 2574-0962
Editore: American Chemical Society
DOI: 10.1021/acsaem.8b01392

Carbons with Regular Pore Geometry Yield Fundamental Insights into Supercapacitor Charge Storage

Autori: Yifei Michelle Liu, Céline Merlet, Berend Smit
Pubblicato in: ACS Central Science, Numero 11/5, 2019, Pagina/e 1813-1823, ISSN 2374-7951
Editore: American Chemical Society
DOI: 10.1021/acscentsci.9b00800

Text mining assisted review of the literature on Li-O 2 batteries

Autori: Amangeldi Torayev, Pieter C M M Magusin, Clare P Grey, Céline Merlet, Alejandro A Franco
Pubblicato in: Journal of Physics: Materials, Numero 2/4, 2019, Pagina/e 044004, ISSN 2515-7639
Editore: 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

Autori: Anouar Belhboub, El Hassane Lahrar, Patrice Simon, Céline Merlet
Pubblicato in: Electrochimica Acta, Numero 327, 2019, Pagina/e 135022, ISSN 0013-4686
Editore: 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

Autori: El Hassane Lahrar, Anouar Belhboub, Patrice Simon, Céline Merlet
Pubblicato in: ACS Applied Materials & Interfaces, Numero 12/1, 2019, Pagina/e 1789-1798, ISSN 1944-8244
Editore: American Chemical Society
DOI: 10.1021/acsami.9b16740

Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons

Autori: Dimitrios Kilymis, Albert P. Bartók, Chris J. Pickard, Alexander C. Forse, Celine Merlet
Pubblicato in: Physical Chemistry Chemical Physics, 2020, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d0cp01705a

Local distortions and dynamics in hydrated Y-doped BaZrO$_3$

Autori: Torayev, Amangeldi; Sperrin, Luke; Gomez, Maria A; Kattirtzi, John; Merlet, Celine; Grey, Clare
Pubblicato in: The Journal of Physical Chemistry C, Numero 124, 2020, Pagina/e 16689, ISSN 1932-7447
Editore: 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

Autori: El Hassane Lahrar, Patrice Simon, Celine Merlet
Pubblicato in: The Journal of Chemical Physics, 2021, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0065150

Understanding the Chemical Shifts of Aqueous Electrolyte Species Adsorbed in Carbon Nanopores

Autori: Anagha Sasikumar, John M. Griffin, Céline Merlet
Pubblicato in: Journal of Physical Chemistry Letters, Numero 13, 2022, Pagina/e 8953, ISSN 1948-7185
Editore: 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

Autori: Anagha Sasikumar, Anouar Belhboub, Camille Bacon, Alexander C. Forse, John M. Griffin, Clare P. Grey, Patrice Simon, Céline Merlet
Pubblicato in: Physical Chemistry Chemical Physics, Numero 23/30, 2021, Pagina/e 15925-15934, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d1cp02130c

Simulations of Ionic Liquids Confined in Surface Functionalized Nanoporous Carbons: Implications for Energy Storage

Autori: El Hassane Lahrar, Irena Deroche, Camélia Matei Ghimbeu, Patrice Simon, Céline Merlet
Pubblicato in: ACS Applied Nano Materials, Numero 4, 2021, Pagina/e 4007, ISSN 2574-0970
Editore: 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

Autori: 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
Pubblicato in: The Journal of Physical Chemistry C, Numero 125/9, 2021, Pagina/e 4955-4967, ISSN 1932-7447
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.0c10417

Computational Insights into Charge Storage Mechanisms of Supercapacitors

Autori: Kui Xu, Hui Shao, Zifeng Lin, Céline Merlet, Guang Feng, Jixin Zhu, Patrice Simon
Pubblicato in: ENERGY & ENVIRONMENTAL MATERIALS, Numero 3/3, 2020, Pagina/e 235-246, ISSN 2575-0356
Editore: Wiley
DOI: 10.1002/eem2.12124

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