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1. Depth-resolving the redox compensation mechanism in LixNiO2

Author

Fantin, Roberto, Jousseaume, Thibaut, Ramos, Raphael, Lefevre, Gauthier, Van Roekeghem, Ambroise, Rueff, Jean-Pascal, and Benayad, Anass

Subjects
Condensed Matter - Materials Science, Condensed Matter - Strongly Correlated Electrons
Abstract

The performances of lithium-ion batteries are set by the electrodes materials capacity to exchange lithium ions and electrons faster and reversibly. To this goal Ni-rich layered metal oxides, especially LiNiO2, are attractive electrode candidate to achieve both high voltage and capacities. Despite its attractiveness, several drawbacks for its industrialization are related to different form of surface and bulk instabilities. These instabilities are due to redox process involving the charge transfer between cations and anions. Therefore, a fundamental understanding based on further experimental evidence is required to resolve of charge transfer between the cation and anion from the surface to the bulk in LiNiO2. Herein, we resolve the role of nickel and oxygen in the charge compensation process in LixNiO2 electrodes from the extreme surface down to 30 nm by energy-dependent core-level HAXPES supported by ab initio simulation. We emphasize the central role of oxygen in the bulk charge compensation mechanism from LiNiO2 to NiO2 due to the negative charge transfer and bond/charge-disproportionation characters of LiNiO2. This bulk behavior is in turn responsible for surface deoxygenation and nickel reduction upon delithiation.

Published
2024

2. Self-regulated ligand-metal charge transfer upon lithium ion de-intercalation process from LiCoO2 to CoO2

Author

Fantin, Roberto, van Roekeghem, Ambroise, and Benayad, Anass

Subjects
Condensed Matter - Materials Science, Condensed Matter - Strongly Correlated Electrons
Abstract

Understanding the role of metal and oxygen in the redox process of layered 3d transition metal oxides is crucial to build high density and stable next generation Li-ion batteries. We combine hard X-ray photoelectron spectroscopy and ab-initio-based cluster model simulations to study the electronic structure of prototypical end-members LiCoO2 and CoO2. The role of cobalt and oxygen in the redox process is analyzed by optimizing the values of d-d electron repulsion and ligand-metal p-d charge transfer to the Co 2p spectra. We clarify the nature of oxidized cobalt ions by highlighting the transition from positive to negative ligand-to-metal charge transfer upon Li+ de-intercalation., Comment: Using X-ray photoelectron spectroscopy and ab-initio simulations, this study reveals the changes in electronic structure upon discharge for LixCoO2, an archetypal cathode material for lithium-ion batteries

Published
2023
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6. Effect of the operating temperature on the degradation of solid oxide electrolysis cells

Author

Sassone, Giuseppe, primary, Celikbilek, Ozden, additional, Hubert, Maxime, additional, Develos-Bagarinao, Katherine, additional, David, Thomas, additional, Guetaz, Laure, additional, Martin, Isabelle, additional, Villanova, Julie, additional, Benayad, Anass, additional, Rorato, Léa, additional, Vulliet, Julien, additional, Morel, Bertrand, additional, Léon, Aline, additional, and Laurencin, Jérôme, additional

Published
2024
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8. Single Versus Blended Electrolyte Additives: Impact of a Sulfur‐Based Electrolyte Additive on Electrode Cross‐Talk and Electrochemical Performance of LiNiO2||Graphite Cells.

Author

Wölke, Christian, Benayad, Anass, Lai, Thanh‐Loan, Hanke, Felix, Baraldi, Giorgio, Echeverría, María, Esen, Ekin, Ayerbe, Elixabete, Neale, Alex R., Everitt, Jacqui, Hardwick, Laurence J., Yan, Peng, Poterała, Marcin, Wieczorek, Władysław, Winter, Martin, and Cekic‐Laskovic, Isidora

Subjects
*LITHIUM-ion batteries, *DENSITY functional theory, *NICKEL oxide, *ELECTROCHEMICAL electrodes, *ELECTROLYTES
Abstract

Lithium nickel oxide (LNO) is an attractive positive electrode active material for lithium ion batteries (LIBs) due to its high reversible specific capacity and absence of cobalt. Nevertheless, it is prone to structural instabilities that lead to rapid capacity fading, safety concerns and shows in average a lower voltage than mixtures with cobalt, limiting its applicability to date. Herein this study introduces the sulfur‐based electrolyte additive, benzo[d][1,3,2]dioxathiole 2,2‐dioxide (DTDPh), to stabilize the LNO electrode and study its effects on interphase compositions by means of complementary electrochemical and spectroscopic techniques. Obtained results demonstrate an improved galvanostatic cycling performance in terms of cycle life and achievable specific discharge capacity that significantly outperform the common film‐forming additive vinylene carbonate (VC). The cycle life is increased from 102 to 147 cycles compared to the baseline electrolyte and the accumulated discharge energy until end of life is increased by 45%. This study furthermore provides strong evidence of a significant cross‐talk and negative interplay between DTDPh and VC when both are present in the electrolyte formulation. Mechanistic consideration based on density functional theory (DFT) calculations suggest the formation of mobile poly(VC) species, which is supported by the results of post mortem analysis of the resulting interphases. [ABSTRACT FROM AUTHOR]

Published
2024
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9. Single vs. Blended Electrolyte Additives: Impact of a Sulfur-Based Electrolyte Additive on Electrode Cross-talk and Electrochemical Performance of LiNiO2||Graphite Cells

Author

Wölke, Christian, primary, Benayad, Anass, additional, Lai, Thanh-Loan, additional, Hanke, Felix, additional, Baraldi, Giorgio, additional, Echeverría, María, additional, Esen, Ekin, additional, Ayerbe, Elixabete, additional, Neale, Alex, additional, Everitt, Jacqui, additional, Hardwick, Laurence, additional, Yan, Peng, additional, Poterała, Marcin, additional, Wieczorek, Władysław, additional, Winter, Martin, additional, and Cekic-Laskovic, Isidora, additional

Published
2024
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11. Probing Surface Dynamics of SiOxThin-Film Electrodes during Cycling through X-Ray Photoemission Spectroscopy and Operando X-Ray Reflectivity

Author

Lu, Zijie, Zrikem, Khawla, Le Cras, Frédéric, Tanaka, Masatomo, Nakamoto, Mitsunori, Benayad, Anass, Tardif, Samuel, and van Roekeghem, Ambroise

Abstract

SiOxelectrodes are promising for high-energy-density lithium-ion batteries (LIBs) due to their ability to mitigate volume expansion-induced degradation. Here, we investigate the surface dynamics of SiOxthin-film electrodes cycled in different carbonate-based electrolytes using a combination of ex situ X-ray photoelectron spectroscopy (XPS) and operando synchrotron X-ray reflectivity analyses. The thin-film geometry allows us to probe the depth-dependent chemical composition and electron density from surface to current collector through the solid electrolyte interphase (SEI), the active material, and the thickness evolution during cycling. Results reveal that SiOxlithiation initiates below 0.4 V vs Li+/Li and indicate a close relationship between SEI formation and SiOxelectrode lithiation, likely due to the high resistivity of SiOx. We find similar chemical compositions for the SEI in FEC-containing and FEC-free electrolytes but observe a reduced thickness in the former case. In both cases, the SEI thickness decreases during delithiation due to the removal or dissolution of some carbonate species. These findings give insights into the (de)lithiation of SiOx, in particular, during the formation stage, and the effect of the presence of FEC in the electrolyte on the evolution of the SEI during cycling.

Published
2024
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12. Selective Catalytic Reduction of CO2 to CO by a Single-Site Heterobimetallic Iron–Potassium Complex Supported on Alumina

Author

Isah, Abdulrahman Adamu, primary, Ohiro, Oluwatosin, additional, Li, Li, additional, Nasiru, Yahaya, additional, Szeto, Kai C., additional, Dugas, Pierre-Yves, additional, Benayad, Anass, additional, De Mallmann, Aimery, additional, Scott, Susannah L., additional, Goldsmith, Bryan R., additional, and Taoufik, Mostafa, additional

Published
2024
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14. Surface analysis insight note: Accounting for X‐ray beam damage effects in positive electrode‐electrolyte interphase investigations.

Author

Fantin, Roberto, Van Roekeghem, Ambroise, Rueff, Jean‐Pascal, and Benayad, Anass

Subjects
SURFACE analysis, X-rays
Abstract

We investigated the effects of X‐ray beam damage during X‐ray photoelectron spectroscopy measurement on LiNiO2 electrodes. The degree of damage induced by lab‐based and synchrotron X‐ray radiation has been compared between pristine and cycled electrodes, highlighting the role of positive solid electrode–electrolyte interphase to protect the cycled LiNiO2 surface from beam damage. The possible steps to avoid or at least reduce the beam‐induced effects are outlined. [ABSTRACT FROM AUTHOR]

Published
2024
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15. Batteries Li-ion

Author

Benayad, Anass, primary, Béranger, BrunoVE, additional, Barchasz, Céline, additional, and Bardet, Michel, additional

Published
2020
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16. Long-Term Tests and Advanced Post-Test Characterizations of the Oxygen Electrode in Solid Oxide Electrolysis Cells

Author

Celikbilek, Ozden, Sassone, Giuseppe, Prioux, Manon, Ferreira Sanchez, Dario, Benayad, Anass, Hubert, Maxime, Morel, Bertrand, Vulliet, Julien, Léon, Aline, Laurencin, Jérôme, ARC-Nucleart CEA Grenoble (NUCLEART), Laboratoire d'Innovation pour les Technologies des Energies Nouvelles et les nanomatériaux (LITEN), Institut National de L'Energie Solaire (INES), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de L'Energie Solaire (INES), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS), Département Technique Conversion et Hydrogène (DTCH), Paul Scherrer Institute (PSI), Département des Technologies des NanoMatériaux (DTNM), CEA Le Ripault (CEA Le Ripault), Direction des Applications Militaires (DAM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), European Institute For Energy Research (EIFER), Universität Karlsruhe (TH)-EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), ANR-22-PEHY-0008,CELCER-EHT,Ceramic Cells for durable performant and cost efficient HTE(2022), and European Project: 874577,NewSOC

Subjects
[SPI]Engineering Sciences [physics], General Medicine
Abstract

International audience; Solid oxide electrolysis cells (SOEC) are a promising energy conversion technology for the production of green hydrogen via steam electrolysis. However, performance loss remains a bottleneck for large-scale commercialization. Here, we investigate the different types of degradation occurring in a state-of-the-art cell composed of La0.6Sr0.4Co0.2Fe0.8O3-Ce0.8Gd0.2O2 (LSCF-GDC) composite for the oxygen electrode, GDC for the barrier layer, Y0.16Zr0.84O1.92 (8YSZ) for the electrolyte and Ni-YSZ for the fuel electrode. Electrochemical impedance spectra measured before and after operation at 750 °C for 2000 hours at -1 A cm-2 in SOEC mode revealed no significant evolution for the oxygen electrode contribution. To investigate potential degradation of this electrode, we performed multi-modal chemical imaging based on synchrotron X-ray diffraction (µ-XRD) with a resolution at the micrometer-scale. In addition, we monitored the evolution of the chemical composition and chemical environment before and after ageing using laboratory X-ray photoelectron spectroscopy (XPS). All these analyses revealed a slight evolution of the crystal lattice parameter in the oxygen electrode and the inter-diffusion layer. It was also found that Sr segregation accelerates with ageing. However, more severe ageing conditions and/or longer ageing durations are required in order to observe an effect on the performance.

Published
2023
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21. The effect of surface chemistry on the electrical double layer in a long-chain ionic liquid

Author

Bou Tannous, Layla, Simoes Santos, Mirella, Gong, Zheng, Haumesser, Paul-Henri, Benayad, Anass, Pádua, Agílio, Steinberger, Audrey, Laboratoire de Chimie - UMR5182 (LC), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'énergie atomique et aux énergies alternatives - Laboratoire d'Electronique et de Technologie de l'Information (CEA-LETI), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire d'Innovation pour les Technologies des Energies Nouvelles et les nanomatériaux (LITEN), Institut National de L'Energie Solaire (INES), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique de l'ENS Lyon (Phys-ENS), École normale supérieure de Lyon (ENS de Lyon)-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and ANR-18-CE09-0018,LIQUI2D,Interfaces entre liquides et matériaux 2D pour dispositifs nanoélectroniques(2018)

Subjects
Molybdenum disulfide, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Atomic force microscopy, Electrical double layer, Molecular dynamics, Surface chemistry, Ionic liquids
Abstract

Room temperature ionic liquids (ILs) can create a strong accumulation of charges at solid interfaces by forming a very thin and dense electrical double layer (EDL). The structure of this EDL has important consequences in numerous applications involving ILs, for example in supercapacitors, sensors and lubricants, by impacting the interfacial capacitance, the charge carrier density of semiconductors , as well as the frictional properties of the interfaces. We have studied the interfacial structure of a long chain imidazolium-based IL (1-octyl-3-methylimidazolium dicyanamide) on several substrates: mica, silica, silicon and molybdenum disulfide (MoS 2), using atomic force microscopy (AFM) experiments and molecular dynamics (MD) simulations. We have observed 3 types of interfacial structures for the same IL, depending on the chemistry of the substrate and the water content, showing that the EDL structure is not an intrinsic property of the IL. We evidenced that at a low water content, neutral and apolar (thus hydrophobic) substrates promote a thin layer structure, where the ions are oriented parallel to the substrate and cations and anions are mixed in each layer. In contrast, a strongly charged (thus hydrophilic) substrate yield an extended structuration into several bilayers, while a heterogeneous layering with loose bilayer regions was observed on an intermediate polar and weakly charged substrate and on an apolar one at a high bulk water content. In the latter case, water contamination favors the formation of bilayer patches by promoting the segregation of the long chain IL into polar and apolar domains.

Published
2023

23. Quantifying Degradation Mechanisms in a High-Performance Parallel Hybrid Lithium-Ion Supercapacitor Induced by Long Term Cycling at High Current Rates

Author

Vanpeene, Victor, primary, Martens, Isaac, additional, Benayad, Anass, additional, Mirolo, Marta, additional, Daniel, Lise, additional, Genies, Sylvie, additional, Maletin, Yurii, additional, Stryzhakova, Natalia, additional, Zelinskyi, Sergii, additional, Chernukhin, Sergey, additional, Drnec, Jakub, additional, and Villanova, Julie, additional

Published
2023
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28. Revisiting Co 2p core‐level photoemission in LiCoO2 by in‐lab soft and hard X‐ray photoelectron spectroscopy: A depth‐dependent study of cobalt electronic structure.

Author

Fantin, Roberto, Van Roekeghem, Ambroise, and Benayad, Anass

Subjects
X-ray photoelectron spectroscopy, HARD X-rays, PHOTOEMISSION, ELECTRONIC structure, SOFT X rays, TRANSITION metal oxides
Abstract

Addressing the oxidation state of functional materials such as transition metal oxides is a current critical challenge and requires new methodologies to characterize their electronic structure within surface to bulk resolution at the nanometer scale. One approach to this issue is the combination of co‐localized soft and hard X‐ray photoelectron spectroscopies for a non‐destructive depth profiling. In this work, we demonstrate the capability to characterize the oxidation state of cobalt in LiCoO2 thin films, a model electrode material in the Li‐ion battery field, within the first 15 nm. The capability of the methodology to address the surface evolution of the cobalt oxidation state is tested through a proof of concept surface modification introduced by Ar‐ion sputtering. To address the cobalt local electronic structure at different depths from the extreme surface, we exploited Auger‐free Hard X‐ray photoelectron spectroscopy (HAXPES) spectra to fit the Co 2p core‐level features in the X‐ray photoelectron spectroscopy (XPS) spectra. This approach may pave the way for a better understanding of the surface electronic structure changes in transition metal oxides driven by their applications in a broad range of technologies. [ABSTRACT FROM AUTHOR]

Published
2023
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30. Understanding Battery Interfaces by Combined Characterization and Simulation Approaches : Challenges and Perspectives

Author

Atkins, Duncan, Ayerbe, Elixabete, Benayad, Anass, Capone, Federico G., Capria, Ennio, Castelli, Ivano E., Cekic-Laskovic, Isidora, Ciria, Raul, Dudy, Lenart, Edström, Kristina, Johnson, Mark R., Li, Hongjiao, Garcia Lastra, Juan Maria, Leal De Souza, Matheus, Meunier, Valentin, Morcrette, Mathieu, Reichert, Harald, Simon, Patrice, Rueff, Jean-Pascal, Sottmann, Jonas, Wenzel, Wolfgang, Grimaud, Alexis, Atkins, Duncan, Ayerbe, Elixabete, Benayad, Anass, Capone, Federico G., Capria, Ennio, Castelli, Ivano E., Cekic-Laskovic, Isidora, Ciria, Raul, Dudy, Lenart, Edström, Kristina, Johnson, Mark R., Li, Hongjiao, Garcia Lastra, Juan Maria, Leal De Souza, Matheus, Meunier, Valentin, Morcrette, Mathieu, Reichert, Harald, Simon, Patrice, Rueff, Jean-Pascal, Sottmann, Jonas, Wenzel, Wolfgang, and Grimaud, Alexis

Abstract

Driven by the continuous search for improving performances, understanding the phenomena at the electrode/electrolyte interfaces has become an overriding factor for the success of sustainable and efficient battery technologies for mobile and stationary applications. Toward this goal, rapid advances have been made regarding simulations/modeling techniques and characterization approaches, including high-throughput electrochemical measurements coupled with spectroscopies. Focusing on Li-ion batteries, current developments are analyzed in the field as well as future challenges in order to gain a full description of interfacial processes across multiple length/timescales; from charge transfer to migration/diffusion properties and interphases formation, up to and including their stability over the entire battery lifetime. For such complex and interrelated phenomena, developing a unified workflow intimately combining the ensemble of these techniques will be critical to unlocking their full investigative potential. For this paradigm shift in battery design to become reality, it necessitates the implementation of research standards and protocols, underlining the importance of a concerted approach across the community. With this in mind, major collaborative initiatives gathering complementary strengths and skills will be fundamental if societal and environmental imperatives in this domain are to be met.

Published
2022
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31. Understanding Battery Interfaces by Combined Characterization and Simulation Approaches:Challenges and Perspectives

Author

Atkins, Duncan, Ayerbe, Elixabete, Benayad, Anass, Capone, Federico G., Capria, Ennio, Castelli, Ivano E., Cekic‐Laskovic, Isidora, Ciria, Raul, Dudy, Lenart, Edström, Kristina, Johnson, Mark R., Li, Hongjiao, Lastra, Juan Maria Garcia, De Souza, Matheus Leal, Meunier, Valentin, Morcrette, Mathieu, Reichert, Harald, Simon, Patrice, Rueff, Jean‐Pascal, Sottmann, Jonas, Wenzel, Wolfgang, Grimaud, Alexis, Atkins, Duncan, Ayerbe, Elixabete, Benayad, Anass, Capone, Federico G., Capria, Ennio, Castelli, Ivano E., Cekic‐Laskovic, Isidora, Ciria, Raul, Dudy, Lenart, Edström, Kristina, Johnson, Mark R., Li, Hongjiao, Lastra, Juan Maria Garcia, De Souza, Matheus Leal, Meunier, Valentin, Morcrette, Mathieu, Reichert, Harald, Simon, Patrice, Rueff, Jean‐Pascal, Sottmann, Jonas, Wenzel, Wolfgang, and Grimaud, Alexis

Abstract

Driven by the continuous search for improving performances, understanding the phenomena at the electrode/electrolyte interfaces has become an overriding factor for the success of sustainable and efficient battery technologies for mobile and stationary applications. Toward this goal, rapid advances have been made regarding simulations/modeling techniques and characterization approaches, including high-throughput electrochemical measurements coupled with spectroscopies. Focusing on Li-ion batteries, current developments are analyzed in the field as well as future challenges in order to gain a full description of interfacial processes across multiple length/timescales; from charge transfer to migration/diffusion properties and interphases formation, up to and including their stability over the entire battery lifetime. For such complex and interrelated phenomena, developing a unified workflow intimately combining the ensemble of these techniques will be critical to unlocking their full investigative potential. For this paradigm shift in battery design to become reality, it necessitates the implementation of research standards and protocols, underlining the importance of a concerted approach across the community. With this in mind, major collaborative initiatives gathering complementary strengths and skills will be fundamental if societal and environmental imperatives in this domain are to be met.

Published
2022

36. Understanding Battery Interfaces by Combined Characterization and Simulation Approaches: Challenges and Perspectives

Author

Atkins, Duncan, primary, Ayerbe, Elixabete, additional, Benayad, Anass, additional, Capone, Federico G., additional, Capria, Ennio, additional, Castelli, Ivano E., additional, Cekic‐Laskovic, Isidora, additional, Ciria, Raul, additional, Dudy, Lenart, additional, Edström, Kristina, additional, Johnson, Mark R., additional, Li, Hongjiao, additional, Lastra, Juan Maria Garcia, additional, De Souza, Matheus Leal, additional, Meunier, Valentin, additional, Morcrette, Mathieu, additional, Reichert, Harald, additional, Simon, Patrice, additional, Rueff, Jean‐Pascal, additional, Sottmann, Jonas, additional, Wenzel, Wolfgang, additional, and Grimaud, Alexis, additional

Published
2021
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37. Simulation of crystallization evolution of polyoxymethylene during microinjection molding cycle

Author

Dennis A. Siginer, Derdouri Salim, El Otmani Rabie, El Hakimi Abdelhadi, Refaa Zakariaa, Kamal R. Musa, Boutaous M’Hamed, Touache Abdelhamid, and Benayad Anass

Subjects
Work (thermodynamics), Materials science, Polymers and Plastics, 02 engineering and technology, Molding (process), 010402 general chemistry, 01 natural sciences, law.invention, chemistry.chemical_compound, law, Phase (matter), morphology, Thermal, microinjection molding, crystallization kinetics, Composite material, Crystallization, computer modeling, Polyoxymethylene, Dissipation, 021001 nanoscience & nanotechnology, 0104 chemical sciences, viscous dissipation, chemistry, 0210 nano-technology, Material properties
Abstract

A mathematical model coupled with a numerical investigation of the evolving material properties due to thermal and flow effects and in particular the evolution of the crystallinity during the full microinjection molding cycle of poly (oxymethylene) POM is presented using a multi-scale approach. A parametric analysis is performed, including all the steps of the process using an asymmetrical stepped contracting part. The velocity and temperature fields are discussed. A parabolic distribution of the velocity across the part thickness, and a temperature rise in the thin zone toward the wall have been obtained. It is attributed to the viscous energy dissipation during the filling phase, but also to the involved characteristic times for the thermal behavior of the material. Depending on the molding conditions and the locations within the micro-part, different evolution of crystallization rates are obtained leading to at least three to five morphological layers, obtained in the same part configuration of a previously work, allowing a clear understanding of the process-material interaction.

Published
2019
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39. High‐Throughput Experimentation and Computational Freeway Lanes for Accelerated Battery Electrolyte and Interface Development Research

Author

Benayad, Anass, primary, Diddens, Diddo, additional, Heuer, Andreas, additional, Krishnamoorthy, Anand Narayanan, additional, Maiti, Moumita, additional, Cras, Frédéric Le, additional, Legallais, Maxime, additional, Rahmanian, Fuzhan, additional, Shin, Yuyoung, additional, Stein, Helge, additional, Winter, Martin, additional, Wölke, Christian, additional, Yan, Peng, additional, and Cekic‐Laskovic, Isidora, additional

Published
2021
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41. Impact of Air Moisture and Operating Mode on the Degradation of Solid Oxide Cells

Author

Sassone, Giuseppe, Celikbilek, Ozden, Hubert, Maxime, Develos-Bagarinao, Katherine, Benayad, Anass, Morel, Bertrand, Léon, Aline, and Laurencin, Jérôme

Abstract

To study the impact of humid air on the solid oxide cell durability, long-term tests of 1000 h were performed in dry air condition and with a water content of 3% and 8% at 800 °C and +/-1 A.cm−2. The cell was made of a La0.6Sr0.4Co0.2Fe0.8O3−δ-Ce0.8Gd0.2O2−δ(LSCF-GDC) oxygen electrode, a GDC diffusion barrier layer, an Y0.16Zr0.84O1.92(YSZ) electrolyte, and a Ni-YSZ hydrogen electrode. In electrolysis mode, the degradation rate increased with increasing water content in the air. In addition, the degradation rate was higher under electrolysis current than in fuel cell mode. At the highest level of humidity in electrolysis mode, the addition of water in the air affected the series and polarisation resistances in the impedance spectra. In this case, conversely to the dry condition, the post-test characterizations revealed that the Ni migration was promoted at the cell outlet. Moreover, the LSCF decomposition was aggravated by the humid condition especially in electrolysis mode at the cell inlet. In this zone, it leads to the formation of a quasi-dense SrO phase at the top of the current collecting layer. Such insulating layer could induce a current redistribution in the cell explaining the higher Ni migration at the cell outlet.

Published
2024
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42. Selective oxidation on metallic carbon nanotubes by halogen oxoanions

Author

Seon-Mi Yoon, Sung Jin Kim, Hyeon-Jin Shin, Benayad, Anass, Seong Jae Choi, Ki Kang Kim, Soo Min Kim, Yong Jin Park, Gunn Kim, Jae-Young Choi, and Young Hee Lee

Subjects
Nanotubes -- Chemical properties, Density functionals -- Usage, Chlorine compounds -- Chemical properties, Oxidation-reduction reaction, Chemistry
Abstract

Chlorine oxoanions with different oxidation states are introduced in order to correlate the degree of oxidation with the electronic structures of the carbon nanotubes (CNTs). The density functional theory calculations have shown that physisorption is involved at a high oxidation state and selective doping on the metallic nanotubes is seen, whereas chemisorptions have played a key role in modifying the electronic structures of the CNTs at a low oxidation state.

Published
2008

44. Single Versus Blended Electrolyte Additives: Impact of a Sulfur‐Based Electrolyte Additive on Electrode Cross‐Talk and Electrochemical Performance of LiNiO2||Graphite Cells (Adv. Energy Mater. 36/2024).

Author

Wölke, Christian, Benayad, Anass, Lai, Thanh‐Loan, Hanke, Felix, Baraldi, Giorgio, Echeverría, María, Esen, Ekin, Ayerbe, Elixabete, Neale, Alex R., Everitt, Jacqui, Hardwick, Laurence J., Yan, Peng, Poterała, Marcin, Wieczorek, Władysław, Winter, Martin, and Cekic‐Laskovic, Isidora

Subjects
*CYTOCHEMISTRY, *ELECTROCHEMICAL electrodes, *ELECTROLYTES, *ADDITIVES, *LIQUIDS
Abstract

This article, published in Advanced Energy Materials, discusses the impact of a sulfur-based electrolyte additive on the electrochemical performance of LiNiO2||graphite cells. The study emphasizes the importance of considering the interaction between different electrolyte components in the development of advanced electrolytes. The authors highlight the direct interaction of two functional additives and how it enhances the overall performance of the cell chemistry. The article is authored by a diverse group of researchers, showcasing a range of perspectives and expertise in the field. [Extracted from the article]

Published
2024
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46. Well-defined surface tungstenocarbyne complex through the reaction of [W(CtBu)(CH2tBu)3] with CeO2: a highly stable precatalyst for NOx reduction with NH3

Author

Larabi, Cherif, primary, Chen, Cuirong, additional, Merle, Nicolas, additional, Charlin, Marc, additional, Szeto, Kai C., additional, De Mallmann, Aimery, additional, Benayad, Anass, additional, B. Meziane, Karima, additional, Kaddouri, Akim, additional, Nguyen, Hai P., additional, and Taoufik, Mostafa, additional

Published
2021
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