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Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O 2 Cathodes on Discharge through a Combined Experimental and Theoretical Approach

التفاصيل البيبلوغرافية
العنوان: Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O 2 Cathodes on Discharge through a Combined Experimental and Theoretical Approach
المؤلفون: Pieter C. M. M. Magusin, Lauren E. Marbella, Clare P. Grey, Arnaud Demortière, Zeliang Su, Simon Engelke, Vincent De Andrade, Amangeldi Torayev, Céline Merlet, Alejandro A. Franco
المساهمون: Laboratoire réactivité et chimie des solides - UMR CNRS 7314 (LRCS), Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Advanced Lithium Energy Storage Systems - ALISTORE-ERI (ALISTORE-ERI), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry [Cambridge, UK], University of Cambridge [UK] (CAM), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Department of Chemical Engineering [Columbia], University of Missouri [Columbia] (Mizzou), University of Missouri System-University of Missouri System, Argonne National Laboratory [Lemont] (ANL), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Institut Universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.), Grey, Clare [0000-0001-5572-192X], Apollo - University of Cambridge Repository, Centre National de la Recherche Scientifique - CNRS (FRANCE), Collège de France (FRANCE), Columbia University (USA), Ecole Nationale Supérieure de Chimie de Paris - ENSCP (FRANCE), Ecole Nationale Supérieure de Chimie de Montpellier - ENSCM (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Institut polytechnique de Grenoble (FRANCE), Sorbonne Université (FRANCE), Université Grenoble Alpes - UGA (FRANCE), University of Cambridge (UNITED KINGDOM), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université de Nantes (FRANCE), Université de Picardie Jules Verne (FRANCE), ALISTORE-ERI (FRANCE), Université de Pau et des Pays de l'Adour - UPPA (FRANCE), Université de Haute Alsace - UHA (FRANCE), Université de Montpellier (FRANCE), Réseau sur le Stockage Electrochimique de l'Energie - RS2E (Amiens, France), Argonne National Laboratory (Argonne, USA), Apollo-University Of Cambridge Repository, Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)
المصدر: The Journal of Physical Chemistry C
Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2021, ⟨10.1021/acs.jpcc.0c10417⟩
Journal of Physical Chemistry C, 2021, ⟨10.1021/acs.jpcc.0c10417⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
سنة النشر: 2021
مصطلحات موضوعية: Energie électrique, Materials science, Matériaux, 02 engineering and technology, Electrolyte, 010402 general chemistry, 01 natural sciences, 7. Clean energy, Tortuosity, Article, Physical and Theoretical Chemistry, Diffusion (business), Porosity, 021001 nanoscience & nanotechnology, Li-O2 Cathodes, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, General Energy, Knudsen diffusion, Chemical engineering, Particle, 0210 nano-technology, Pulsed field gradient, Porous medium
الوصف: International audience; Li-O2 batteries offer a high theoretical discharge capacity due to the formation of light discharged species such as Li2O2 , which fill the porous positive electrode. However, in practice, it is challenging to reach the theoretical capacity and completely utilize the full electrode pore volume during discharge. With the formation of discharge products, the porous medium evolves, and the porosity and tortuosity factor of the positive electrode are altered through shrinkage and clogging of pores. A pore shrinks as solid discharge products accumulate, the pore clogging when it is filled (or when access is blocked). In this study, we investigate the structural evolution of the positive electrode through a combination of experimental and computational techniques. Pulsed field gradient nuclear magnetic resonance results show that the electrode tortuosity factor changes much faster than suggested by the Bruggeman relation (an equation that empirically links the tortuosity factor to the porosity) and that the electrolyte solvent affects the tortuosity factor evolution. The latter is ascribed to the different abilities of solvents to dissolve reaction intermediates, which leads to different discharge product particle sizes: on discharging using 0.5M LiTFSI in dimethoxyethane, the tortuosity factor increases much faster than for discharging in 0.5M LiTFSI in tetraglyme. The correlation between a discharge product size and tortuosity factor is studied using a pore network model, which shows that larger discharge products generate more pore clogging. The Knudsen diffusion effect, where collisions of diffusing molecules with pore walls reduce the effective diffusion coefficients, is investigated using a kinetic Monte Carlo model and is found to have an insignificant impact on the effective diffusion coefficient for molecules in pores with diameters above 5 nm, i.e., most of the pores present in the materials investigated here. As a consequence, pore clogging is thought to be the main origin of tortuosity factor evolution.
وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document; application/pdf
تدمد: 1932-7447
1932-7455
DOI: 10.17863/cam.64888
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8867bc2ca9b249c25513cfd2dfb9ff0a
حقوق: OPEN
رقم الأكسشن: edsair.doi.dedup.....8867bc2ca9b249c25513cfd2dfb9ff0a
قاعدة البيانات: OpenAIRE
الوصف
تدمد:19327447
19327455
DOI:10.17863/cam.64888