Alejandro A. Franco

Alejandro A. Franco
Université de Picardie Jules Verne | UPJV · LRCS, Laboratoire de réactivité et chimie des solides

Full Professor, PhD

About

194
Publications
25,938
Reads
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3,154
Citations
Additional affiliations
October 2016 - September 2021
Institut Universitaire de France
Position
  • Junior Member of the Institut Universitaire de France
February 2013 - present
Université de Picardie Jules Verne
Position
  • Professor (Full)

Publications

Publications (194)
Article
Full-text available
The segmentation of tomographic images of the battery electrode is a crucial processing step, which will have an additional impact on the results of material characterization and electrochemical simulation. However, manually labeling X-ray CT images (XCT) is time-consuming, and these XCT images are generally difficult to segment with histographical...
Article
Lithium Ion Batteries (LIBs) constitute a crucial technology in the ongoing energy transition. Still, the composite porous electrodes in LIBs remain complex systems which still need optimization to meet the requirements from the applications, e.g. high energy density for the automotive sector. To achieve well‐designed LIB electrodes, computational...
Article
Full-text available
Finding low‐cost and nontoxic redox couples for organic redox flow batteries is challenging due to unrevealed reaction mechanisms and side reactions. In this study, a 3D kinetic Monte Carlo model to study the electrode‐anolyte interface of a methyl viologen‐based organic redox flow battery is presented. This model captures various electrode process...
Article
Full-text available
Lithium‐ion battery manufacturing requires a pilot stage that optimizes its characteristics. However, this process is costly and time‐consuming. One way to overcome this is to use a set of models that act as a digital twin of the prototyping line, exchanging information in real‐time that can be compared with measurements to correct parameters. Here...
Article
Full-text available
The computational simulation of the manufacturing process of lithium-ion battery composite electrodes based on mechanistic models allows capturing the influence of manufacturing parameters on electrode properties. However, ensuring that these properties match with experimental data is typically computationally expensive. In this work, we tackled th...
Preprint
We present a three-dimensional physics-based modeling workflow to study the impact of wet manufacturing process parameters on the properties of Solid-State Battery (SSBs) tape casted electrodes. This computational workflow was initially developed to study Lithium Ion Battery electrodes within our ARTISTIC project and it is adapted here to SSB catho...
Preprint
Full-text available
Electrode manufacturing is at the core of the lithium ion battery (LIB) fabrication process. The electrode microstructure and the electrochemical performance are determined by the adopted manufacturing parameters. However, in view of the strong interdependencies between these parameters, evaluating their influence on the performance is not a trivia...
Preprint
The manufacturing process aims to optimize the parameters leading to enhanced Lithium-Ion Battery (LiB) electrode properties. Particularly, developing silicon/graphite blends could be an alternative for boosting LiB energy density while using the longstanding properties of graphite. Here, we report the manufacturing parameters impact of the mixing,...
Preprint
Full-text available
The demand for lithium ion batteries (LIBs) on the market has gradually risen, with production increasing every year. To meet industrial needs, the development of digital twins designed to optimize LIB manufacturing processes is essential. Here, by using LiNi0.33Co0.33Mn0.33O2 (NMC111) material as an example, we introduce the realistic particles sh...
Preprint
Full-text available
The optimization of the electrodes manufacturing process constitutes one of the most critical steps to ensure high-quality Lithium-Ion Battery (LIB) cells, in particular for automotive applications. Because LIB electrode manufacturing is a complex process involving multiple steps and interdependent parameters, we have shown in our previous works th...
Article
The electrolyte infiltration is a critical step in the Lithium-ion battery (LIB) cell manufacturing process, impacting for instance the solid electrolyte interphase heterogeneity and the cell aging. The electrolyte infiltration rate and effectivity are tied to the porous mesostructure and dimensions of the electrodes and the separator, which are ma...
Article
X-ray computed tomography (CT) is a non-destructive imaging technique in which contrast originates from the materials’ absorption coefficient. The recent development of laboratory nanoscale CT (nano-CT) systems has pushed the spatial resolution for battery material imaging to voxel sizes of 50 nm, a limit previously achievable only with synchrotron...
Article
Full-text available
Li‐ion batteries (LIBs) trigger the transition from engine cars to electric vehicles, but their production upscale could be challenging in terms of materials sustainability and supply chain. For this, many alternative chemistries are being proposed to partly substitute LIBs, such as replacing non‐abundant lithium with other elements, like sodium, o...
Article
To date, battery research largely follows an "Edisonian"approach based on experimental trial-and-error in contrast to a systematic strategy of design-of-experiments. Battery interfaces are arguably the most important yet the least understood components of energy storage devices. To transform the way we perform battery research, theory and computati...
Article
Full-text available
Thick electrodes suffer from poor rate capability and high ionic impedance due to their mesostructure heterogeneity. Therefore, optimizing thick electrode architectures becomes crucial. In this work, we report a systematic assessment of the ionic resistance in heterogeneous porous electrodes through the combination of computational simulations usin...
Article
The Cover Feature illustrates an operator using the ARTISTIC Online Calculator from a tablet and running the associated 3D‐resolved physics‐based models in HPC facilities to predict the impact of manufacturing parameters on the microstructure of a lithium‐ion battery electrode. More information can be found in the Concept by A. A. Franco and co‐wor...
Article
In order to extract the most capacity out of Li-ion battery (LIB) active materials, the optimization of the electrodes architectures at the mesoscale is essential. This work focuses on the morphology of the inactive phase (carbon additives and binder) through a 3-D modeling approach based on stochastic generation with realistic LiNi1/3Mn1/3Co1/3O2...
Article
Performing high resolution 3D imaging with transmission X‐ray microscopy (TXM) in an in situ battery system is extremely challenging. We show herein a method to conduct an in situ nano‐X ray Computed Tomography (nano‐XCT) experiment assisted by the in‐line phase contrast technique for low Z elements in batteries. A carbon‐based O2‐cathode of Li‐O2...
Preprint
Full-text available
Computational modeling of the manufacturing process of Lithium-Ion Battery (LIB) composite electrodes based on mechanistic approaches, allows predicting the influence of manufacturing parameters on electrode properties. However, ensuring that the calculated properties match well with experimental data, is typically time and resources consuming In t...
Article
This article presents the ARTISTIC online calculator, a web platform that enables both experimental and computational researchers to access the ARTISTIC project three‐dimensional (3D) manufacturing models. This platform is free of charge and utilizes a user‐friendly interface to guide users among the different manufacturing steps and their paramete...
Article
This roadmap presents the transformational research ideas proposed by “BATTERY 2030+,” the European large-scale research initiative for future battery chemistries. A “chemistry-neutral” roadmap to advance battery research, particularly at low technology readiness levels, is outlined, with a time horizon of more than ten years. The roadmap is center...
Article
Full-text available
The development of new batteries has historically been achieved through discovery and development cycles based on the intuition of the researcher, followed by experimental trial and error—often helped along by serendipitous breakthroughs. Meanwhile, it is evident that new strategies are needed to master the ever-growing complexity in the developmen...
Article
Full-text available
As the world races to respond to the diverse and expanding demands for electrochemical energy storage solutions, lithium‐ion batteries (LIBs) remain the most advanced technology in the battery ecosystem. Even as unprecedented demand for state‐of‐the‐art batteries drives gigascale production around the world, there are increasing calls for next‐gene...
Preprint
Full-text available
In order to extract the most capacity out of Li-ion battery (LIB) active materials, the optimization of the electrodes architectures at the mesoscale is essential. This work focuses on the morphology of the inactive phase (carbon additives and binder) through a 3-D modeling approach based on stochastic generation with realistic LiNi1/3Mn1/3Co1/3O2...
Article
Full-text available
Electrolyte infiltration is one of the critical steps of the manufacturing process of lithium ion batteries (LIB). We present here an innovative machine learning (ML) model, based on the multi-layers perceptron (MLP) approach, to fast and accurately predict electrolyte flow in three dimensions, as well as wetting degree and time for LIB electrodes....
Article
Composite graphite/silicon (Si) electrodes with low Si weight percentages are considered as a promising anode for next generation Li-ion batteries. In this context, understanding the mesostructural changes due to Si volume expansion and the complex electrochemical interplay between graphite and Si becomes crucial to unlock real-life applications of...
Article
Full-text available
This is a critical review of artificial intelligence/machine learning (AI/ML) methods applied to battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily understandable, review of general interest to the battery community. It addresses the concepts, approaches, tools, outcomes, and challenges of using AI/ML as...
Article
Li-ion battery electrode manufacturing is raising broad interest from both experimental and computational perspectives, due to its impact on the electrode and cell cost, mechanical and electrochemical properties. Among the different manufacturing processes, drying can trigger heterogeneities within the electrode mesostructure because of additive mi...
Article
The Cover Feature illustrates the strength of the INNOV Web App to facilitate modeling by generating battery electrode mesostructures in few clicks, allowing to perform physical modeling to predict their behavior in third party software. More information can be found in the Concept by M. Chouchane and A. A. Franco.
Preprint
Full-text available
X-ray Computed Tomography (X-ray CT) is a well-known non-destructive imaging technique where contrast originates from the materials' absorption coefficients. Novel battery characterization studies on increasingly challenging samples have been enabled by the rapid development of both synchrotron and laboratory-scale imaging systems as well as innova...
Preprint
Full-text available
Composite graphite/silicon (Si) electrodes with low Si weight percentages are considered as a promising anode for next generation Li-ion batteries. In this context, understanding the microstructural changes due to Si volume expansion and the complex electrochemical interplay between graphite and Si becomes crucial to unlock real-life applications o...
Preprint
Composite graphite/silicon (Si) electrodes with low Si weight percentages are considered as a promising anode for next generation Li-ion batteries. In this context, understanding the microstructural changes due to Si volume expansion and the complex electrochemical interplay between graphite and Si becomes crucial to unlock real-life applications o...
Preprint
Full-text available
Li-ion battery electrodes manufacturing is raising broad interest from both experimental and computational perspectives, due to its impact on the cost, mechanical and electrochemical properties of the final electrodes and cells. Among the different manufacturing steps, solvent evaporation can trigger heterogeneities along the electrode mesostructur...
Preprint
Li-ion battery electrodes manufacturing is raising broad interest from both experimental and computational perspectives, due to its impact on the cost, mechanical and electrochemical properties of the final electrodes and cells. Among the different manufacturing steps, solvent evaporation can trigger heterogeneities along the electrode mesostructur...
Article
With the growing interest in battery computational modeling to work hand in hand with experiments, the lack of user‐friendly software, in particular accessible for experimentalists, is an impediment to its development. In the battery field, time dependent 3‐D‐resolved computational modeling is a more promising approach compared to trial and error t...
Article
Full-text available
We present CHAMPION (Chalmers hierarchical atomic, molecular, polymeric, and ionic analysis toolkit): a software developed to automatically detect time‐dependent bonds between atoms based on their dynamics, classify the local graph topology around them, and analyze the physicochemical properties of these topologies by statistical physics. In stark...
Preprint
Electrolyte infilitration is one of the critical steps of the manufacturing process of lithium ion batteries. Along with being the most time-consuming step in manufacturing, electrolyte wetting directly impacts the battery cell energy density, power density and cycle life. We present here an innovative machine learning model to fast and accurately...
Article
Electrode manufacturing process strongly impacts lithium-ion battery characteristics. The electrode slurry properties and the coating parameters are among the main factors influencing the electrode heterogeneity which impacts the battery cell performance and lifetime. However, the analysis of the impact of electrode manufacturing parameters on the...
Article
Graphite is one of the most used active materials in Lithium‐Ion Battery negative electrodes thanks to its high specific capacity and low equilibrium potential. For over 40 years, one of the most discussed issues with this material revolves around the complex formation mechanism of the solid electrolyte interphase (SEI), which acts as a protective...
Article
Solid-state electrolytes (SSEs) are promising candidates to circumvent flammability concerns of liquid electrolytes. However, enhancing energy densities by thinning SSE layers and enabling scalable coating processes remain challenging. While previous studies have addressed thin and flexible SSEs, mainly ionic conductivity was considered for perform...
Article
3D image reconstruction is important for the understanding of materials and their function in devices. A generative adversarial network architecture reconstructs 3D materials microstructures from 2D images.
Article
Invited for this month's cover picture is an effort run by the group of Alejandro A. Franco and made in collaboration with Mathieu Morcrette, Patrik Johansson, Patrice Simon and Alexis Grimaud. The Front Cover illustrates an ideal scientific literature, in which all the data are systematically disclosed and available for researchers, together with...
Article
The Front Cover illustrates an ideal scientific literature, in which all the data are systematically disclosed and available for researchers, together with artificial intelligence algorithms aiming to bring new light on the next generation of batteries. More information can be found in the Concept by A. A. Franco and co‐workers.
Article
Full-text available
Electrochemical systems function via interconversion of electric charge and chemical species and represent promising technologies for our cleaner, more sustainable future. However, their development time is fundamentally limited by our ability to identify new materials and understand their electrochemical response. To shorten this time frame, we ne...
Article
The calendering process aims at enhancing the electrode energy density, and improving the electronic conductivity, and determines the final porous electrode micro/mesostructure. In this sense, one of the main parameters of interest is its impact in the electrode porosity (ε) and the electrochemical performance. Here, we present a systematic study o...
Article
Full-text available
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 produc...
Article
The optimization of the calendering process represents one of the key tasks for tuning the lithium‐ion battery performance. In this study we present a systematic statistical‐based study of the three main calendering parameters (namely, the applied pressure, roll temperature and line speed) effect on the porosity, electrode mechanical properties and...
Preprint
Lithium metal has been an attractive candidate as a next generation anode material. Despite its popularity, stability issues of lithium in the liquid electrolyte and the formation of lithium whiskers have kept it from practical use. Three-dimensional (3D) current collectors have been proposed as an effective method to mitigate whiskers growth. Alth...
Preprint
Full-text available
We present CHAMPION: a software developed to automatically detect time-dependent bonds between atoms based on their dynamics, classify the local graph topology around them, and analyze the physicochemical properties of these topologies by statistical physics. In stark contrast to methodologies where bonds are detected based on static conditions suc...
Article
Full-text available
Lithium-ion battery (LIB) manufacturing optimization is crucial to reduce its CO2 fingerprint and cost, while improving their electrochemical performance. In this article, we present an experimentally validated calendering Discrete Element Method model for LiNi0.33Mn0.33Co0.33O2–based cathodes by considering explicitly both active material (AM) and...
Article
Full-text available
Electrolyte filling takes place between sealing and formation in Lithium Ion Battery (LIB) manufacturing process. This step is crucial as it is directly linked to LIB quality and affects the subsequent time consuming electrolyte wetting process. Although having fast, homogeneous and complete wetting is of paramount importance, this process has not...
Article
Full-text available
Artificial Intelligence (AI) has the promise of providing a paradigm shift in battery R&D by significantly accelerating the discovery and optimization of materials, interfaces, phenomena, and processes. However, the efficiency of any AI approach ultimately relies on rapid access to high‐quality and interpretable large datasets. Scientific publicati...
Article
Full-text available
Both society and market calls for safer, high-performing and cheap Li-ion batteries (LIBs) in order to speed up the transition from oil-based to electric-based economy. One critical aspect to be taken into account in this modern challenge is LIBs manufacturing process, whose optimization is time and resources consuming due to the several interdepen...
Preprint
Full-text available
Porous (up to 70 vol. %) self-standing flexible carbon/polymer (Ketjen Black / PVdF-HFP) film electrodes are produced by leaching out a plasticizer-porogen agent (DBP = DiButyl Phtalate) from precursor films (80% ³ DBP w% ³ 40%). Textural analysis reveals that i) these films exhibit copious initial macroporosity, ii) extra open macro- and then meso...
Article
Full-text available
Highly concentrated electrolytes (HCEs) are attracting interest as safer and more stable alternatives to current lithium-ion battery electrolytes, but their structure, solvation dynamics and ion transport mechanisms are arguably more complex. We here present a novel general method for analyzing both the structure and the dynamics, and ultimately th...