A5101951968- Advancements in Battery Materials
- Advanced Battery Technologies Research
- Advanced Battery Materials and Technologies
- Electron and X-Ray Spectroscopy Techniques
- Electrochemical Analysis and Applications
- Fuel Cells and Related Materials
- Topology Optimization in Engineering
- Extraction and Separation Processes
- Advanced battery technologies research
- Membrane-based Ion Separation Techniques
- Fault Detection and Control Systems
- Neuroscience and Neural Engineering
- Transition Metal Oxide Nanomaterials
- Anodic Oxide Films and Nanostructures
- Machine Learning in Materials Science
- Biofuel production and bioconversion
- Minerals Flotation and Separation Techniques
- Electrical and Bioimpedance Tomography
- Advanced DC-DC Converters
- Magnetic Field Sensors Techniques
- Supercapacitor Materials and Fabrication
- Characterization and Applications of Magnetic Nanoparticles
- Polysaccharides and Plant Cell Walls
- Advanced Optimization Algorithms Research
- Semiconductor materials and interfaces
Lawrence Livermore National Laboratory
2024
Hasselt University
2021-2022
IMEC
2021
Directorate-General for Energy
2021
Columbia University
2015-2020
University of California, Berkeley
2012
A multi-scale mathematical model, which accounts for mass transport on the crystal and agglomerate length-scales, is used to investigate electrochemical performance of lithium-magnetite cells. Experimental discharge voltage recovery data are compared three sets simulations, incorporate crystal-only, agglomerate-only, or effects. Mass diffusion coefficients determined by fitting simulated times experimental data. In addition, a further extension model proposed impact size distributions...
Electrocatalytic reduction of CO2 to CO in aqueous media offers an important path more sustainable carbon utilization. Optimization this process relies on a detailed understanding the dynamics boundary layer chemistry, e.g., pH, adjacent electrode, which is difficult quantify without perturbing system. In work, versatile IrOx pH-sensing thin film fabricated ring rotating disk electrode (RRDE) enable potentiometric pH measurement under well-defined mass flow conditions. An analytical...
The mass transport processes occurring within magnetite electrodes during discharge and voltage recovery are investigated using a combined experimental modeling approach. Voltage data analyzed through comparison of the time-constants associated with different length-scales electrode. long times can be hypothesized to result from relaxation concentration profiles on mesoscale, which consists agglomerate crystallite length-scales. hypothesis was tested development multi-scale mathematical...
Numerical physics-based models are useful in understanding battery performance and developing optimal design architectures. Data science developments have enabled software algorithms to perform data analysis decision making that traditionally could only be performed by technical experts. Traditional workflows of model development - manual parameter estimation through visual comparison simulations experimental observations, discrimination expert intuition time-consuming, difficult justify....
In this paper, we introduce a density-based topology optimization framework to design porous electrodes for maximum energy storage. We simulate the full cell with model that incorporates electronic potential, ionic and electrolyte concentration. The system consists of three materials, namely pure liquid solids anode cathode, which determine optimal placement. use separate potentials each electrode, allow interdigitated designs. As result, penalization is required ensure cathode do not touch,...
Rechargeable batteries that incorporate shaped three-dimensional electrodes have been shown to increased power and energy densities when compared a conventional geometry, i.e. planar cathode anode sandwich an electrolyte. Electrodes can be enable higher active material loading, while keeping ion transport distances small. However, the relationship between electrical mechanical performance of remains poorly understood. Many electrode designs explored, where are individually or intertwined,...
The electrochemical behavior of lithium trivanadate (LiV3O8) during lithiation, delithiation, and voltage recovery experiments is simulated using a crystal-scale model that accounts for solid-state diffusion, charge-transfer kinetics, phase transformations. kinetic expression change was modeled an approach inspired by the Avrami formulation nucleation growth. Numerical results indicate diffusion coefficient in LiV3O8 ∼10−13 cm2 s−1 equilibrium compositions two region (∼2.5 V) are...
The electrochemical and phase-change behavior of lithium trivanadate during lithiation delithiation is analyzed by comparing a coupled electrode/crystal-scale mathematical model to operando experiments. expands on previously published crystal-scale adding descriptions for electrode-scale resistances. Agreement between simulated observed measurements compelling. Time space-resolved EDXRD the cathode are compared with concentration profiles. Both simulation experiment reveal that lithiation,...
ConspectusBatteries are dynamic devices composed of multiple components that operate far from equilibrium and may under extreme stress varying loads. Studies isolated battery valuable to the fundamental understanding physical processes occurring within each constituent element. When integrated into a full device operated realistic conditions, it can be difficult decouple occur across interfaces length scales. Thus, studied in change setup or irrelevant performance. Simulation studies on many...
Fundamental understanding of transport properties across multiple size regimes is critical for the rational design electrodes with conversion materials. While recent studies have effectively interrogated mass in material magnetite (Fe3O4), a remaining challenge to understand how electron and ion progress thick electrode. To provide insight, this study performs characterization Li/Fe3O4 electrochemical cells both situ operando using synchrotron energy dispersive diffraction (EDXRD). In EDXRD...
A technique to measure the cation-transference number of salts in fully hydrated ion-selective membranes has been developed and demonstrated on Nafion 117 for LiCl Li2SO4. Dilute solution theory is used identify experimental conditions that reduce propagation uncertainties membrane properties transference estimates. This advantages over commonly methods, including elimination need analysis electrode potentials approaches exploit electroanalytical methods or additional information required...
A full depth of discharge mathematical model for the lithium trivanadate cathode, considering lithiation layered α -phase, phase change, and rock-salt like β -phase at lower potentials, is developed. The coupled electrode-scale crystal-scale fit to electrochemical data, additionally validated with operando EDXRD. There good agreement between simulated measured spatial variation volume fraction -phase. This used guide electrode fabrication, accounting both ionic electronic transport effects....
This paper proposes a way to augment the existing machine learning algorithm applied state-of-charge estimation by introducing form of pulse injection running battery cells. It is believed that information contained in responses can be interpreted whereas other techniques are difficult decode due nonlinearity. The sensitivity analysis amplitude current given through simulation, allowing researchers select appropriate level with respect desired accuracy improvement. A multi-layer feedforward...
Models based on concentrated solution theory are developed to estimate <?CDATA ${t}_{+}^{m}$?> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:msubsup> <mml:mrow> <mml:mi>t</mml:mi> </mml:mrow> <mml:mo>+</mml:mo> <mml:mi>m</mml:mi> </mml:msubsup> </mml:math> from anion-tracer and cation-tracer experiments. Markov Chain Monte Carlo (MCMC) algorithms used the probability distribution functions for accounting uncertainties in other physical properties...
Rechargeable batteries that incorporate shaped three-dimensional electrodes have been shown to increased power and energy densities for a given footprint area when compared conventional geometry, i.e., planar cathode anode sandwich an electrolyte. Electrodes can be enable higher loading of active material, while keeping the ion transport distance small, however, relationship between electrical mechanical performance remains poorly understood. A variety electrode shapes explored, where are...
Electrochemical energy storage (EES) and conversion devices (e.g. batteries, supercapacitors, reactors) are emerging as primary methods for global efforts to shift dependence from limited fossil fuels towards sustainable renewable resources. These devices, while showing great potential meeting some key metrics set by conventional technologies, still face significant limitations. For example, an EES device tends exhibit large density lithium-ion battery) or power supercapacitor), but not...
The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic their constituent materials as well underlying microstructure. discovery 2D 3D mesoscale architectures tailored to diverse applications remain an open challenge it cannot be approached empirically. In this work, we leverage design flexibility offered several additive manufacturing methods (e.g. direct ink write, projection micro-stereolithography, etc.) engineer architecture device...
Typical porous electrodes are homogeneous, stochastic collections of micron-scale particles offering few opportunities for engineering higher performance. To leverage recent breakthroughs in advanced and additive manufacturing, we use topology optimization to design electrochemical energy storage devices such as batteries supercapacitors. Energy density is maximized, leading non-trivial geometries that outperform monolithic electrodes. These facilitate ionic transport lead better electrode...
Pseudo-capacitors are attractive electrochemical energy storage devices for their superior rate performance over conventional batteries, and higher capacity traditional capacitors. Despite the importance of these types devices, hybrid physics makes it difficult to simulate performance; as such, a general well-established physics-based mathematical model does not exist. Using MnO 2 pseudo-capacitive electrode, this work describes electrode two parallel redox reactions with independent...
As the global economy becomes increasingly electrified, demand for batteries and energy storage is expected to rise significantly, particularly in transportation electricity sectors. Lithium-ion (LIBs) are currently most advanced widely used technology this field. Traditionally, LIBs manufactured using simple 2D planar geometries maximize production efficiency minimize costs. However, approach limits density due restricted design flexibility of electrodes. Additive manufacturing (AM) offers...
As the demand for large scale batteries has grown, considerations such as earth abundance, cost, and toxicity have assumed a greater significance. Metal oxides magnetite (Fe 3 O 4 ) are worthy of evaluation active materials electrochemical energy storage due to its low environmentally benign iron metal centers high theoretical capacity, 926 mAh/g. Implementation in future will require understanding fundamental reduction-oxidation mechanisms electroactive is required, coupled with...