Advanced Materials for Energy Conversion and Storage 2023: Energy Storage with Battery I
Sponsored by: TMS Functional Materials Division, TMS: Energy Conversion and Storage Committee
Program Organizers: Jung Choi, Pacific Northwest National Laboratory; Amit Pandey, Lockheed Martin Space; Partha Mukherjee, Purdue University; Surojit Gupta, University of North Dakota; Soumendra Basu, Boston University; Paul Ohodnicki, University Of Pittsburgh; Eric Detsi, University of Pennsylvania
Tuesday 8:00 AM
March 21, 2023
Room: 32B
Location: SDCC
Session Chair: Partha Mukherjee, Purdue University; Leon Shaw, Illinois Institute of Technology
8:00 AM Keynote
Understanding Reactive Metals for Future Batteries - Lithium vs. Sodium: Shirley Meng1; 1The University of Chicago
Alkali metals have been considered as the ideal anodes for high-energy rechargeable batteries. However, Lithium and sodium nucleation and growth at the nano scale remains mysterious as to achieving reversible stripping and deposition. A few decades of research have been dedicated to this topic and we have seen breakthroughs in novel electrolytes in the last few years, where the efficiency of reactive metal deposition is exceeding 99%. Here, cryogenic-transmission electron microscopy (Cryo-TEM/Cryo-FIB) was used to reveal the evolving nanostructure of Li/Na deposits at various transient states in the nucleation and growth process, in which a disorder-order phase transition was observed as a function of current density and deposition time. I will discuss a few new perspectives about how future cryogenic imaging and spectroscopic techniques can accelerate the innovation of novel energy storage materials and architectures.
8:30 AM Invited
3D Detailed Modeling Framework of Electrochemo-mechanics Behavior in SiO/Gr Composite Anode for High Energy Density Lithium-ion Battery: Xiang Gao1; Jun Xu1; 1UNC Charlotte
SiO/Graphite (Gr) composite has been regarded as one of the most promising anode materials for the next generation of high-energy-density lithium-ion batteries (LIBs). The heterogeneous composition of such an anode system brings in highly nonlinear and complex electrochemical behaviors compared to the single-material anode. The computational modeling provides an efficient and accurate way to explore the electrochemo-mechanics behaviors of SiO/Gr composite anode. Herein, we propose a 3D multiphysics modeling framework at the electrode level containing particle geometries based on a representative volume element (RVE) and study the electrochemical process of the half-cell charging. The effects of SiO proportion, SiQ position, and SiO particle size on the electrochemical performance are discussed. Results provide an in-depth understanding of the electrochemical behaviors of the composite anode and guide the design for SiO/Gr anode materials in maximizing the theoretical capacity while maintaining better rate performance.
8:55 AM
Advanced Na-metal Halide Batteries for Long Duration Energy Storage Applications: Guosheng Li1; 1Pacific Northwest National Laboratory
Grid-scale energy storage with low-cost, long-duration capability is critical for the ever-growing renewable power sources, such as solar and wind power. While the cost of renewable power generation has been declining steadily in recent years, appropriate energy storage technologies are in urgent demand to pair renewables to effectively replace traditional fossil-based power generation. Although Li-ion batteries (LIBs) have generally dominated transportation (EV), consumer electronics (portable devices) over past few decades, the high inherent cost of necessary raw materials and fire hazard related safety issue are major concerns for its large-scale energy storage applications. To achieve rapid decarbonization goals and reduce the impact of global climate change, there is a strong motivation for battery research beyond current LIB chemistry. Here, we demonstrate advanced Na-metal halide batteries that use earth-abundant and low-cost materials as battery components and achieve long-duration capability without compromising battery performance.
9:15 AM
Apparent Microstructurally Induced Phase Separation in Porous LiNiMnCoO2 Cathodes
: Abhas Deva1; Edwin Garcia1; 1Purdue University
A thermodynamically consistent phase field framework is presented to analyze the combined effects of internal grain microstructure and the particle size polydispersity on the microstructural mechanisms that control lithium transport and intercalation kinetics in porous LiNiMnCoO2 (NMC111) cathodes. The effects of Fickian, chemomechanical, and interfacial reaction driving forces are identified and summarized into simple dimensionless numbers and grouped into different regimes of behavior. Microstructurally, monodispersed and bimodal distributions are analyzed to identify the effects of grain boundaries, texture, particle size that result in the development of macroscopic populations of lithium distributions that may appear at first glance as two-phase in character, and highlight the possibility of simultaneously engineering the interior of the particle and the particle size distribution.
9:35 AM Break
9:55 AM
Application of Electrodeposited Zinc Thin Film to Anode of Zn-Ni Secondary Battery for Thousands of Charge-Discharge Cycles: Masatsugu Morimitsu1; Yusuke Tachida1; Mayu Yasuda1; Takuya Kuruma2; Kyohei Yamaguchi2; Hiroki Sawamoto2; 1Doshisha University; 2Mitsui Mining & Smelting Co., Ltd.
Zinc anode is one of the promising candidates for the anode of next-generation batteries such as zinc-nickel and zinc-air cells, while zinc secondary battery has been suffering a poor cycleability due to the generation and growth of zinc dendrite. This paper presents a solution of this problem that is the electrodeposited zinc thin film which works as the active mass and current collector of zinc anode. The voltage performance and capacity retention were examined using zinc-nickel cells and the results demonstrated the discharge capacity maintaining 100% of the initial value and no significant change in charge-discharge voltage even more than 1,900 cycles at 1 C. The polarization of the zinc anode was only 25 mV and the anode’s potential showed no sign of dendrite growth and internal short circuit for the long operation.
10:15 AM Keynote
Challenges of ASSB development for Future Electric Vehicle Application: Toshikazu Kotaka1; Koichiro Aotani1; Yuichi Aihara1; Balachandran Radhakrishnan2; Shigemasa Kuwata2; 1Nissan Motor Co., Ltd.; 2Alliance Innovation Lab in Silicon Valley, Nissan North America Inc.
Nissan has been leading the zero-emission vehicle (ZEV) market, including the pure battery electric vehicle (BEV) and hybrid electric vehicle(HEV), since Nissan LEAF launched. Because the Li-ion battery is one of the most important core components governing the performance of the vehicle, the cost and the reliability, we have been paying attention on the battery research for many years. A high-level balance between five major performances (energy density, power density, temperature robustness, safety and durability) is required for the EV application. To achieve the total balance, such as above five major performances, both numerical modeling and material analysis are important, as well as the system level approaches. In this presentation, we will report our fundamental approach and the expectation on all-solid state-battery (ASSB) for future EV application.
10:45 AM Invited
Elucidating the Governing Forces Behind Chemo-Mechanical Instabilities in Electrodes for Alkali Metal-ion Batteries: Omer Ozgur Capraz1; 1Oklahoma State University
Performance of alkali metal-ion battery electrodes depends on the chemo-mechanical stability of the electrodes during cycling. Continuous volumetric expansions / reduction during intercalation, slower transport of alkali metal ions in the electrode at faster rates and the formation of solid-electrolyte interface are the major factors behind chemo-mechanical instabilities in alkali metal ion batteries. Physical and electrochemical behavior of the electrode materials in response to Na+ and K+ ion intercalation is expected to be fundamentally different than the response to Li+ ion. However, there is not much known about how electrochemical reactions and transport of ions take place in electrode materials with different alkali metal ions. In this talk, we will discuss the governing forces behind the chemo-mechanical instabilities in alkali metal ion battery electrodes. In operando digital image correlation and curvature measurements were conducted in order to probe dynamic physical changes in the electrodes during battery cycling.
11:10 AM Invited
Enabling High-energy-density Cathodes by Coupling Electrochemistry and Mechanics across Length Scales: Scott Roberts1; Jeffrey Horner1; 1Sandia National Laboratories
While traditionally used as a primary battery chemistry, there is current interest in using FeS2 as a high-energy density cathode material for specialized rechargeable battery applications. However, the combination of intercalation and conversion processes, large volume change upon reaction, and the formation of polysulfides complicate its cycling behavior and therefore wider adoption. We present computational models at both the mesoscale (particle-resolved) and macroscale (homogenized) that look at the coupled interplay between mechanical stress and strain and electrochemistry to determine the performance and degradation of FeS2 electrodes. These models are used to explore the role of particle size polydispersity and 3D electrode design to appropriately balance mechanics, transport, and kinetic limitations and optimize electrode performance. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525.
11:35 AM Invited
Multiphysics Models for Understanding and Enhancing Cycle and Calendar Life of Silicon-rich Lithium-ion Batteries: Ankit Verma1; Peter Weddle1; Andrew Colclasure1; 1National Renewable Energy Laboratory
Calendar and cycle life of silicon anode lithium-ion batteries (LIBs) are dictated by the passivating nature of the solid electrolyte interphase (SEI) film growth coupled with large volumetric fluctuations of Si. In comparison to graphite SEI, silicon SEI exhibits reduced passivation while immense expansion of Si particles during lithiation can induce stress large stresses with pore closure and fracture. In this work, we develop multiscale electro-chemo-mechanics models to understand these limitations of the Si anode at the SEI (10s of nanometers) as well as electrode level (10s of microns). Furthermore, we use model predictions to devise strategies (electrochemical cycling window, electrode recipe, electrolyte additives etc.) for stable cycling and calendar aging of Si rich systems.