IMN

PMN and PCM Teams Seminar
2026-06-24 09:00 - 12:00 (Europe/Paris) | Lecture Hall 1, IRESTE Chantrerie Building
The PCM and PMN teams are organizing a joint seminar where M1 and M2 interns will present the work they completed during their internships at the IMN.
Wednesday, June 24, 2026, 9:00 a.m., IMN Lombarderie lecture hall.

Jeudis de la Chimie du Solide seminar - Céline Barreteau (ICMPE Thiais)
2026-06-11 13:30 - 15:00 | Videoconferencing
Screening new thermoelectric intermetallic compounds using high-throughput computation and machine learning

Céline Barreteau
ICMPE, CNRS-UMR 7182, 2-4 rue Henri Dunant, 94320, Thiais, France
Visio: https: //univ-nantes-fr.zoom.us/j/81276982367?pwd=[REDACTED]
In the current economic and ecological context, the development of alternative energy production is a major challenge. With this in mind, thermoelectric materials, which convert heat flow into a temperature gradient (and vice versa), offer numerous advantages: no moving parts, high reliability, …. However, they are still confined to niche applications due to their high production costs and low yields. New high-performance materials are therefore needed to increase the use of this technology.
To facilitate and accelerate the search for new candidates, a dual approach, combining first-principles calculations and experiments, is of interest. For a wide range of compositions, our method combines high-throughput calculations to identify stable, non-metallic compounds, with experimental studies of the most promising screened materials.
Initially, we focused on ternary T-M-X intermetallic compounds, with T a transition metal, rare earth or alkaline earth metal, M an element from the first line of transition metals and X, a sp element [1,2]. Thus, for dozens of prototypes, all possible T-M-X combinations were investigated by DFT calculations. Following this theoretical screening, experimental investigations were carried out to confirm the theoretical results, particularly with regard to stability and thermoelectric properties [3].
Now, in our quest for more promising new materials, we are continuing to improve our screening method to increase the complexity and type of compounds, while reducing the number and duration of calculations. To this end, Machine Learning techniques have been applied to certain intermetallic prototypes, such as Heuslers, to optimize our screening [4].

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[1] Barreteau, C. et al., Optimization of criteria for an efficient screening of new thermoelectric compounds: the TiNiSi structure-type as a case-study, ACS Combinatorial Sciences, 22, 813-820, (2020), https://doi.org/10.1021/acscombsci.0c00133
[2] Barreteau, C. et al, Looking for new thermoelectric materials among TMX intermetallics using high-throughput calculations, Computational Material Science, 156, 96-103 (2019), http://doi.org/10.1016/j.commatsci.2018.09.030
[3] Moll, A. et al, SrCuP and SrCuSb Zintl phases as potential thermoelectric materials, J. All. Comp. 924, 169123 (2023) https://doi.org/10.1016/j.jallcom.2023.169123
[4] Xie, R. et al, Screening new quaternary semiconductor Heusler compounds by machine-learning methods, Chem. Mater. 35, 7615-7627 (2023) https://doi.org/10.1021/acs.chemmater.3c01323

JEELS Congress
2026-06-09 14:00 - 2026-06-11 14:00 | Lecture Hall 1, IRESTE Chantrerie Building

Mathieu G. Seminar Silly
2026-06-04 14:30 - 16:00 | Lecture Hall 1, IRESTE Chantrerie Building
Soft X-ray High-Resolution and Time-Resolved Photoemission: Surface Chemistry and Charge Dynamics in Photoactive Materials

Mathieu G. SILLY
TEMPO Beamline, Synchrotron SOLEIL, France
Photoactive materials – from transition-metal oxides to semiconductors and hybrid heterostructures – exhibit complex surface and interface phenomena that critically govern their optical, catalytic, and electronic performance. Understanding the interplay between surface chemistry, defects, and charge dynamics, over timescales ranging from a few tens of picoseconds up to one second, is essential for elucidating their photoactivity.
High-resolution photoemission spectroscopy (HRPES) provides chemical selectivity and surface sensitivity, enabling the identification of oxidation states, defects, and interfacial electronic structures. When combined with time-resolved photoemission spectroscopy (TRPES), this approach allows direct observation of fast picosecond-scale dynamics – such as charge transfer and optically induced electronic relaxation – as well as slower nanosecond-to-second processes, including trap-mediated recombination, surface photovoltage relaxations, or charge drift on mesoscopic scales.
These multi-timescale capabilities are particularly relevant for systems such as hematite under environmental conditions, passivated silicon surfaces, or colloidal nanoparticles coupled to oxides, where simultaneous insight into local chemistry and transient charge dynamics is crucial.
The TEMPO beamline at the SOLEIL synchrotron, dedicated to high-resolution core-level photoemission and pump-probe experiments over the ps-s temporal range, provides a unique platform for probing light-matter interactions with both chemical and temporal sensitivity. The combination of HRPES and TRPES thus offers a powerful framework to unravel the mechanisms governing photoactivity and to guide the design of more efficient and durable photoactive materials.

Contact: Mireille Richard-Plouet(PCM)

In-house seminars
2026-05-29 - 2026-06-03 | Lecture Hall 1, IRESTE Chantrerie Building
IMN Teams project presentation
Amphi IMN Lombarderie

Friday, May 29
at 1:30 pm

Physics of Materials and Nanostructures (PMN)

Wednesday, June 3
at 1:30 pm

Plasmas and Thin Films (PCM)

Wednesday, June 3
at 2:30 pm

Materials Engineering and Metallurgy (ID2M)

Wednesday, June 3
at 3:30 pm

Innovative Materials for Optics, Photovoltaics and Storage (MIOPS)

Wednesday June 3
at 5:00 pm

Electrochemical Energy Storage and Conversion (ST2E)

Babak Anasori seminar
2026-05-28 11:00 - 12:30 | Lecture Hall 1, IRESTE Chantrerie Building
Composition-Structure-Property Relationships in MXenes

Babak ANASORI
Reilly Rising Star Associate Professor
School of Materials Engineering and School of Mechanical Engineering
Purdue University, West Lafayette, IN 47907, USA

MXenes are a large family of 2D transition metal carbides, carbonitrides, and nitrides with over 100 synthesized compositions to date. The rapid growth of the MXene family is driven by designer chemistry control of their composition and structure, including the transition metal and surface functional groups, the non-metal sublattice, and atomic-layer configurations. This compositional diversity controls chemical ordering, defect formation, and surface chemistry, ultimately determining MXenes properties. In addition to their chemical and structural diversity, as-synthesized MXenes exhibit high electrical conductivity, hydrophilicity, functionalized surfaces, and tunable electronic, chemical, and mechanical properties.
In this talk, I will start with a brief overview of the possible compositions and structures of MXenes, then focus on our recent efforts on medium- and high-entropy MXenes and defect engineering to control stability, phase transformation, and functional properties. I will discuss our work on the transition from order to disorder at sub-nanometer thicknesses across 40 different MXenes with two to nine transition metals due to entropy effects. I will also present how controlling defects, including metal and non-metal vacancies and carbon substitution with nitrogen, enables tuning of oxidation resistance, electrocatalytic behavior, and high-temperature stability.

Bio:Dr. Babak Anasori is the Reilly Rising Star Associate Professor at Purdue University, with joint appointments in the Schools of Materials Engineering and Mechanical Engineering. He also serves as the Editor-in-Chief of Graphene and 2D Materials, a Springer-Nature journal. Dr. Anasori received his PhD from Drexel University in 2014 in the Department of Materials Science and Engineering, the birthplace of MXenes. Dr. Anasori has authored over 210 refereed publications on MXenes and their precursors and has been recognized as a Web of Science Highly Cited Researcher since 2019. He has received several international awards, including the 2016 Materials Research Society (MRS) Postdoctoral Award, the 2021 Drexel University 40-under-40, the 2021 Waterloo Institute for Nanotechnology (WIN) Rising Star Award in Nanoscience and Nanotechnology, the 2024 Early Discovery Award by the American Ceramic Society (ACerS), the 2024 Kavli Foundation Early Career Lectureship in Materials Science by MRS, and the 2026 Purdue University Faculty Excellence Award for Early Career Research. Dr. Anasori’s research lab focuses on developing novel 2D carbide and carbonitride MXenes for various applications, including energy generation, electromagnetic interference shielding, and ultra-high temperature and extreme environments.

Contact: Philippe Moreau (ST2E)

Jeudis de la Chimie du Solide seminar - João Rocha (CICECO-Aveiro)
2026-05-07 13:30 - 15:00 | Videoconferencing
Functional Porous Materials: From Transition-Metal and Lanthanide Silicates to MOFs

João Rocha
Department of Chemistry, CICECO-Aveiro Institute of Materials, University of Aveiro, Portugal
Beyond zeolites, certain microporous silicates constructed from transition metal- and lanthanide-containing heteropolyhedra constitute a particularly promising class of functional materials. In addition to the properties conventionally associated with zeolites, these materials may also exhibit magnetic and luminescent behaviour of considerable interest. In my laboratory, we have demonstrated the potential application of these materials in hydrogen/nitrogen separation membranes, light-emitting devices [1], and the treatment of hyperkalaemia (elevated serum K+ levels), culminating in the development of a drug that is now available on the market.
In parallel, our research on metal-organic frameworks (MOFs) seeks to exploit the remarkable modularity of these nanoporous hybrid materials, which are composed of polyatomic metal assemblies interconnected by organic ligands. Although MOFs are generally less robust than zeolitic materials, they offer a decisive advantage in terms of rational design and post-synthetic functionalization. Within this context, we have developed several research directions focused on luminescence-based thermometry, anti-mosquito textiles, and the capture of uranyl ions in aqueous media. We have furthermore designed MOFs based on tetrathiafulvalene phosphonates and lanthanide ions, exhibiting mixed ionic and electronic conductivity [2], thereby opening significant prospects for applications in (opto)electronics, catalysis, and energy storage.
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[1] Wang, Z.; Ananias, D.; Carné-Sánchez, A.; Brites, C.D.S.; Imaz, I.; Maspoch, D.; Rocha, J.; Carlos, L.D. Adv. Funct. Mater. 2015, 25, 2824-2830.
[2] Ribeiro, C.; Tan, B.; Figueira, F.; Mendes, R.; Calbo, J.; Valente, G.; Escamilla, P.; Paz, F.A.; Rocha, J.; Dincă, M.; Souto, M. J. Am. Chem. Soc. 2025, 147, 63-68.

https://univ-nantes-fr.zoom.us/s/89388274201

Chen-Wei Liu Seminar
2026-05-07 10:00 - 11:30 | Lecture Hall 1, IRESTE Chantrerie Building
Chen-Wei Liu (劉鎮維)
NDHU chair professor, Department of Chemistry, National Dong Hwa University,
Hualien, Taiwan 97401
chenwei@gms.ndhu.edu.tw

Hydride-doped Coinage Metal Nanoclusters: From Superatomic Alloys to Superclusters
Hydride, H- (1s2), the smallest closed shell anion, is a one-negative charge ligand widely used to stabilize metallic compounds. Aside from its characteristic NMR signals, detailed characterizations of hydride location within metal clusters are problematic due to its near-invisible X-ray scattering length. Therefore, chemists working on polyhydrido metal clusters must be very cautious. In 2009, the Liu group first succeeded in the isolation of a hydride insertion product, Cu8(H)L6 (L = E2PR2, E = S, Se), where significant metal kernel distortions compared to an empty CuI 8 cube (stabilized by six dichalcophosphate ligands) suggested the additional hydride was located at the center of Cu8 cage. This work kicks off the chemistry of coinage metal hydrides created by the Liu group. During a span of 17 years, we have uncovered four important concepts: (1) hydride additions can assist the growth of nanoscale copper clusters, (2) interstitial hydrides in nanoclusters can reduce M(I) (M = Cu, Ag, Au) to M(0) and form stable superatoms, (3) the interstitial hydride coordinated to Ni, Pd, Pt, Rh, Ir, Ru within Ag- and Cu-rich clusters can behave as “metallic” hydrogen (i.e. to provide its 1s(H) electron to the cluster electron count), (4) the first synthesis of a three-dimensional self-assembled supercluster formed by the tetrahedral arrangement of four IrH2@Ag12 icosahedra, reminiscent of a tetrahedrane. This presentation will focus on the synthesis, structures, and bonding of hydride-doped precious metal nanoclusters, which are indeed structurally precise, ultra-small nanoparticles, as well as its remarkable HER activities catalyzed by a 2-electron palladium(platinum)/copper superatomic alloy, [Pd/Pt/HCu11{S2P(O iPr)2}6(C≡CPh)4].

References
[1] Dhayal, R. S.; van Zyl, W. E.; Liu, C. W. Acc. Chem. Res. 2016, 49, 86 – 95.
[2] Sharma, S.; Chakrahari, K. K.; Saillard, J.-Y.; Liu, C. W. Acc. Chem. Res. 2018, 51, 2475 – 2483.
[3] Artem’ev, A. V.; Liu, C. W. Chem. Commun. 2023, 59, 7182 – 7195.
[4] Chiu, T.-H.; Liao, J.-H.; Silalahi, R. P. B.; Pillay, M. N.; Liu, C. W. Nanoscale Horiz. 2024, 9, 675 – 692.

Contact: Camille Latouche (MIOPS)

Jeudis de la Chimie du Solide seminar - Julien Varignon (CRISMAT Caen)
2026-04-09 13:30 - 15:00 | Videoconferencing
Charge and orbital orders drive superconductivity in complex oxides

Julien Varignon
CRISMAT Laboratory, CNRS UMR 6508, ENSICAEN, Normandie University
Superconductivity, characterized by zero electrical resistance and expulsion of the magnetic field, remains limited by relatively modest critical temperatures Tc, reaching 135 K at best in cuprates at ambient pressure. In complex oxides, understanding the mechanisms by which Tc can be increased is a major challenge, particularly from the point of view of electronic and structural chemistry.
Oxides derived from Ruddlesden-Popper An+1BnO3n+1-type phases play a central role in this issue. In these systems, superconductivity frequently appears close to a transition between an insulating and a metallic phase. This transition is often associated with the disappearance of electronic orders such as charge orders (cationic dismutation) or orbitals, frequently linked to Jahn-Teller-type structural instabilities.
In this seminar, I show, using first-principles simulations based on density functional theory (DFT), that superconductivity emerges systematically in the vicinity of these ordered phases. Even if these orders disappear in the metallic phase, their fluctuations persist and generate sufficient electron-phonon coupling to initiate superconductivity.
These results suggest that ordered insulating and superconducting phases share a common origin1,2. Finally, I demonstrate that structural distortions of O6 octahedral lattices, such as rotations, can modulate this electron-phonon coupling. This opens the way to an oxide structural engineering strategy to optimize Tc.
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1. J. Varignon, M. Bibes, and A. Zunger, Nat. Comm. 10, 1658 (2019)
2. A. A. Carrasco-Alvarez, S. Petit, W. Prellier, M. Bibes, and J. Varignon, Nat. Comm. 16, 1458 (2025)

https://univ-nantes-fr.zoom.us/j/88146334543?pwd=[REDACTED]
Meeting ID: 881 4633 4543
Secret code: 468276

Christophe VALLEE seminar
2026-04-09 13:30 - 14:45
More than 50 years of plasma etching innovation: from RIE to ALE… and what’s next?

Christophe VALLEE
University at Albany, CNSE, USA
In 1974, in their paper entitled “RF sputter-etching by fluoro-hloro-hydrocarbon gases”, N. Hosokawa et al. proposed to combine energetic ions with volatile products for plasma etching [1]. They came up with the idea of replacing argon with fluoro-chloro-hydrocarbon gases in rf diode sputtering equipment. They observed very high sputter-etching speeds, 10 to 20 times higher than those normally encountered with Si or Al. This marked the beginning of plasma etching combining ions and radicals, Reactive Ion Etching (RIE).
With this presentation I will discuss the following 50 years of work that followed the pioneer work of Hosokawa et al, in understanding, designing and optimizing plasma etching processes and reactors. I will show how plasma etching was modified to enable the transistor scaling areas: geometrical scaling (1975-2002), equivalent scaling (2003-2024), and 3D power scaling with transition to complete vertical structures (2025-…). The first scaling area saw the emergence of new reactors enabling the decoupling of flow and energy. The second was accomplished thanks to the transition from continuous flow processes to pulsed processes (pulsed plasma etching, Atomic Layer Etching). As we enter the third scaling area, selectivity will become predominant and temperature control will be a key parameter for the plasma etching processes, as illustrated by the recent development of cryogenic etching. Finally, future challenges for etching processes to meet sustainability and environmental concerns will also be addressed.
Having completed my thesis at IMN, I will take a little time at the beginning of my presentation to explain my career path since my thesis and what my current research activity is at CNSE.

Journées des Doctorants - JDD 2026
2026-04-09 09:00 - 2026-04-10 17:00
SYRA is delighted to invite you to the Journées Des Doctorants 2026 (JDD2026). Once again, we are pleased to present the work of our secondyear PhD students, and to welcome the IMN newcomers. Last year, a photo contest took place outside the main IMN building (Lombarderie site) during the JDD2025. Students and employees of Nantes University were invited to discover this exhibition, which aims to open a window on the expertise in materials science developed at the IMN. This year, to open up this window even further, a treasure hunt has been organized: scientific riddles linked to IMN’s thematic research are spread across the Lombarderie site. Six panels, one correct answer at each step and multiple prizes at the end! The JDD2026 is also an opportunity to improve speaking skills, essential for future conferences, in a more informal setting. We sincerely hope this event will foster connection between different generations of doctoral students and their research teams, and encourage them to share their experiences.

Tojo RASOANARIVO (PCM) thesis defense
2026-04-08 10:00 | Lecture Hall 1, IRESTE Chantrerie Building
Multiscale modeling of GaN atomic layer etching in chlorinated plasmas
Summary: Gallium nitride (GaN) is a key material for power electronics devices operating in the radio frequency domain. The miniaturization of architectures makes nanometric control of etching critical. Conventional etching processes using continuous cold plasmas in chlorinated chemistries offer high speeds, but can induce defects in the material, impacting device performance and reliability. Atomic layer etching (ALE), a cyclic process alternating chemical surface modification and activation by low-energy ion bombardment, aims to control etching at the atomic scale while improving surface finish. This thesis focuses on the development of a multiscale model of GaN FTA in Cl₂/Ar plasmas. The simulator couples a dynamic global model describing plasma species fluxes and densities with a Monte-Carlo sheath model providing ion energy and angular distribution functions. The results of these first two models are then exploited by a kinetic Monte-Carlo surface model to describe chlorine-induced modification reactions and ion bombardment selectivity at the GaN surface during the ALE process. This surface model is fed by an ab initio study describing Cl-GaN(0001) interactions. Ultimately, the simulator package makes it possible to link mesoscopic parameters to plasma/surface interactions at the atomic scale, to gain a deeper understanding of the mechanisms involved and optimize process performance, such as post-etch GaN surface finish and control of etched thickness per cycle. Ultimately, this work can be integrated into a digital twin of GaN ALE processes, to guide the optimization and industrialization of atomic-scale etching.
Keywords: semiconductor, cold plasma process, etching, modeling, multiscale

Multiscale modelling of Atomic Layer Etching of GaN in chlorinated plasmas
Abstract: Gallium nitride (GaN) is a key material for power electronics devices operating in radiofrequency ranges. The downscaling of architectures makes nanometric control of etching critical. Conventional etching processes using continuous plasmas in chlorinated chemistries offer high etch rates but can induce defects in the material, degrading device performance and reliability. Atomic layer etching (ALE), a cyclic process alternating between chemical surface modification and activation by low-energy ion bombardment, aims to control etching at the atomic scale while improving the surface state. This thesis focuses on the development of a multiscale model for ALE of GaN in Cl₂/Ar plasmas. The simulator combines a global dynamic model describing plasma species fluxes and densities with a Monte Carlo sheath model providing ions energy and angular distribution functions. The results from these first two models are then used as inputs for a kinetic Monte Carlo surface model to describe chlorine-induced modification reactions and ion bombardment selectivity on the GaN surface during ALE processing. This surface model relies on ab initio study describing Cl-GaN(0001) interactions. The simulator associates mesoscopic parameters to plasma/surface interactions at the atomic scale in order to deepen understanding of the involved mechanisms and optimize process performances, such as the GaN surface state after etching and etched thickness per cycle. Ultimately, this work can be integrated into a digital twin for GaN ALE processes to guide the optimization and industrialization of atomic-scale etching.
Keywords: semiconductor, low temperature plasma process, etching, modelling, multiscale

Jeudis de la Chimie du Solide seminar - Yann Le Godec (IMPMC Paris)
2026-03-12 13:30 - 15:00 | Videoconferencing
Synthesis under extreme conditions of new lightweight materials with remarkable properties

Yann Le Godec
Institute of Mineralogy, Physics of Materials and Cosmochemistry (IMPMC Paris)
Modern high-pressure chemistry is today a vast and dynamic field of research, offering promising prospects for the development of new materials of industrial interest. Although this discipline is still relatively young compared with conventional chemistry, it is already revealing exceptional potential that remains largely unexplored. Its pioneering nature and revolutionary prospects make it a veritable scientific terra incognita, justifying the growing interest it is arousing.
In this context, recent advances in X-ray diffraction under extreme conditions have revolutionized the methods used to explore these new territories, paving the way for unprecedented discoveries. Over the past decade, intensive use of in situ synchrotron radiation has enabled direct observation of the synthesis pathways of new materials, whether stable or metastable, under extreme conditions. These materials, often inaccessible by conventional methods, feature remarkable properties such as high-temperature superconductivity, exceptional hardness and optimized photovoltaics.
In-situ observation of synthesis processes now enables much more precise determination of the thermodynamic conditions required to access metastable states. In this presentation, I will show that combining very high pressures and temperatures with in situ X-ray diffraction probes using synchrotron radiation is an essential methodological key to controlling the composition and microstructure (nanostructuring) of new materials (borides, carbides, silicon compounds, etc.) with exceptional properties.

George HARRINGTON Seminar
2026-03-11 14:00 - 16:00 | Lecture Hall 1, IRESTE Chantrerie Building
Materials chemistry challenges in the green energy transition: From electrode kinetics to scalable recycling routes

George HARRINGTON
Department of Chemistry at Bath University, UK
The global transition toward green and sustainable energy systems presents a series of challenges from a materials chemistry perspective. Central among these is the need to develop energy-conversion and storage technologies that are efficient, high-performing, and durable over operational lifetimes. Equally critical is the requirement that the manufacturing of these devices be scalable within the constraints of raw material supply and designed with viable end-of-life pathways.
The first part of this seminar focuses on developing approaches to improve the performance solid oxide cells (SOCs), key technologies capable of decoupling the production of synthetic fuels, chemicals, and commodities from fossil fuels underpinning various power-to-X scenarios. A central factor governing SOC performance is the reaction kinetics at the electrodes. Traditionally, advances in SOC electrode performance have been pursued through modifications of electrode composition, tailoring the bulk chemistry to enhance catalytic activity and transport properties. However, recent developments have shown that significant improvements can also be achieved by tuning surface exchange kinetics through alternative mechanisms. In this talk, we examine two emerging approaches: modifying surface chemistry via controlled changes in Smith acidity, and exploiting ultraviolet illumination to drive favourable alterations to surface exchange behaviour. Together, these strategies open relatively unexplored avenues for achieving high-performance electrodes.
The second part of the seminar turns to broader materials-supply challenges for next-generation energy devices. As technologies such as SOCs move toward large-scale deployment, the identification of potential raw material constraints must be identified early in the materials and device design. At the same time, materials in early commercialisation stages require carefully designed end-of-life strategies to prevent the emergence of difficult-to-manage waste streams. Niobium oxide-based materials have recently emerged as high-power, durable battery anodes, and are now in the early stages of commercialisation. Yet their refractory nature, combined with the wide range of dopant chemistries employed, presents substantial challenges for future recycling efforts. In this work, we demonstrate a route to address this challenge through an aqueous-based recycling process that relies only on inexpensive, widely available reagents, offering a feasible path toward sustainable end-of-life management for niobium-based energy materials.

Contact: Clément Nicollet (ST2E)

Raymonda DIAB's thesis defense (co-dir. ST2E)
2026-03-06 09:30 | IREENA Saint-Nazaire
Towards Fast and Safe Recharging of Li-ion Batteries: Design, Parameterization and Experimental Validation of a Pseudo-2D Electrochemical Model Based on Homogenization
Abstract: Fast charging of lithium-ion batteries remains a major challenge due to degradation, safety risks and ageing. Preventing lithium metal deposition during fast charging requires dynamic current adjustment to keep the negative electrode potential above 0 V vs. Li+/Li. Since this potential is inaccessible to direct measurement in commercial batteries, we propose a new variant of the pseudo-bidimensional electrochemical model, enabling real-time estimation of the potential profile across the thickness of the electrodes. A non-linear state representation is obtained from the coupled partial differential equations of the system, via an electrode homogenization approach and non-uniform grid discretization. Experimental parameterization of the model is performed using a three-electrode setup. The model exhibits robust numerical stability, enabling reliable simulations down to 10C. Finally, its predictive capability is demonstrated by validation coupled with parameter estimation for constant load regimes between 2C and 6C.
Keywords: Lithium-ion battery, Fast charging, Pseudo-2D model, Parameterization, Homogenization technique, Lithium deposition

Towards Safe Fast Charging of Li-ion Batteries: Design, Parameterization, and Experimental Validation of a Homogenization-Based Pseudo-2D Electrochemical Model
Abstract: Despite the growing demand for shorter charging times, fast charging of lithium-ion batteries remains challenging due to performance degradation, safety risks, and aging constraints. Preventing lithium plating during fast charging necessitates dynamically adjusting the charging current to keep the negative electrode potential above 0 V vs. Li+/Li. As this potential is not directly measurable in commercial cells, this work develops a novel pseudo-two-dimensional electrochemical model variant. The model enables realtime estimation of the through-thickness potential profile in each electrode. Derived from coupled partial differential equations via electrode homogenization and a non-uniform grid, the model is formulated as a non-linear statespace system. The experimental parameterization of the model is achieved using a threeelectrode assembly. The model demonstrates robust numerical stability, enabling reliable simulations at rates as high as 10C. Finally, the model’s predictive capability is demonstrated through simultaneous validation and parameter estimation across charging rates of 2C to 6C.
Keywords: Lithium-ion battery, Fast charging, Pseudo-2D model, Parametrization, Homogenization Technique, Lithium plating

Thesis defense of Aswadh S. SAJEEVAN (ST2E)
2026-02-13 09:30 - 12:00 | Lecture Hall 1, IRESTE Chantrerie Building
Li-Organic Solid Polymer Electrolyte Batteries: Integration of Lithiated p-Dihydroxyterephthalate Salts, Electrochemical Properties and Recycling Strategy
Summary: Organic electrode materials offer a promising route to the development of more sustainable batteries, by reducing dependence on critical metals. Among them, p-dihydroxyterephthalate derivatives feature high operating potentials and scalable structures. This thesis investigates how their redox properties, electrode architecture and compatibility with solid polymer electrolytes can be optimized to improve the performance of lithium-organic batteries.
The first part examines zinc(II) (2,5-dilithium-oxy)-terephthalate, which adopts a lamellar structure and exhibits stable monoelectronic electrochemical activity at a potential of 3.4 V vs. Li+/Li. The second part evaluates magnesium and zinc derivatives in flexible all-solid-state cells using poly(e-caprolactone-trimethylene carbonate) electrolytes. At 60°C, the polymer electrolyte ensures high ionic conductivity and performance comparable to that observed with liquid electrolytes. The third section focuses on copper(II) (2,5-dilithium-oxy)terephthalate. Although the bulk material exhibits limited electrochemical activity due to large aggregates, the synthesis of a carbon-based composite with high specific surface area leads to a nanostructured system that provides access to the full faradic capacity of this organic structure, but at the expense of sufficient cycling stability. Finally, the fourth section reports on a pioneering study into the recycling of magnesium(II) (2,5-dilithium-oxy)-terephthalate-based electrodes.
Key words: Organic electrode materials, Polymer electrolytes, Battery recycling, Lithium batteries.

Towards Soft Solid-State Li-Organic Batteries: Implementation of Lithiated p-Dihydroxyterephthalate-Based Positive Electrode Materials, Electrochemical Properties, and Recycling Strategy
Abstract: Organic electrode materials offer a promising route toward sustainable lithium-based batteries by reducing reliance on scarce metals. Among these, p-dihydroxyterephthalate derivatives provide high operating potentials and tunable structures. This thesis investigates how their redox properties, electrode architecture, and compatibility with solid polymer electrolytes can be optimized for improved performance.
The first part examines zinc(II) (2,5-dilithiumoxy)-terephthalate, which forms a lamellar structure and shows stable one-electron activity near 3.4 V vs Li+/Li. The second part evaluates magnesium and zinc derivatives of this material in soft solid-state cells with poly(e-caprolactoneco-trimethylene carbonate) based solid polymer electrolytes. At 60 °C, the polymer electrolyte provides high ionic conductivity and delivers performance comparable to that observed with liquid electrolytes. The third part focuses on copper(II) (2,5-dilithium-oxy)-terephthalate. Although the bulk material shows limited electrochemical activity due to large aggregates, the synthesis of a composite based on high surface area carbon yields a nanostructured system that enables access to the full faradaic capacity of this organic framework, albeit at the expense of adequate cycling stability. Finally, the fourth part reports a pioneering study on the recycling of magnesium-based (2,5-dilithium-oxy)-terephthalate electrodes.
Keywords: Organic electrode materials, Polymer electrolytes, Battery recycling, Lithium batteries

Solid State Chemistry Seminar - Camila Campos (IMEC Belgium)
2026-02-12 13:30 - 17:00 | Videoconferencing
Exploiting the electric response of materials for improved analytical performance

Camila Campos
Institute for Microelectronics and Components (IMEC Leuven, Belgium)
We introduce a new method for solid-phase reversible immobilization of biomolecules based on internal, electric control of surface charge of the solid phase. Unlike traditional solid-phase extraction (SPE) approaches, that use solvent composition to select for affinity and often require multiple solvent changes and time-consuming protocols, our system leverages materials whose surface charge and electric double layer can be dynamically adjusted by applying an external voltage. This allows direct, online control of biomolecule adsorption and desorption rates. Furthermore, our results show that other properties of the material, beyond surface charge can be manipulated to obtain significant gains in the selectivity and yield of the reaction. We will discuss how the degree of cross-linking and the specific functional groups present on the surface significantly enhance the selectivity and yield of the extraction process. This electrically driven strategy enables rapid, selective, and high-yield biomolecule separation without the need for complex solvent gradients, allowing more streamlined and effective workflows in bioanalytical and preparative applications.

XPS Theoretical Training
2026-02-05 09:00 - 12:00 | Lecture Hall 1, IRESTE Chantrerie Building
