Advanced Materials for Energy Conversion and Storage VI: Young Investigator and Energy Conversion and Storage II
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; Kyle Brinkman, Clemson University; Soumendra Basu, Boston University; Paul Ohodnicki, University Of Pittsburgh
Thursday 8:30 AM
February 27, 2020
Room: 17B
Location: San Diego Convention Ctr
Session Chair: Partha Mukherjee, Purdue University; Amit Pandey, Granta Design / ANSYS
8:30 AM Keynote
Structuring Oxides from Atomistic to Mesoscale Dimensions to Mitigate Diffusion Limitations: Perspectives for Li-ion and “Beyond Li” Energy Storage: Sarbajit Banerjee1; 1Texas A&M University
The deficiencies of electrochemical energy storage are a major constraint in many areas of technological design. Using vanadium and antimony oxides as model systems, I will discuss the structural and electronic origins of diffusion barriers in cathode materials. I will emphasize in particular the coupling of electrochemistry with mechanics and the implications therein for generation of multiscale inhomogeneities and function. A combination of scanning transmission X-ray microscopy and ptychography with single-crystal X-ray diffraction has enabled mapping of diffusion pathways from atomistic dimensions to entire electrode structures. The mitigation of diffusion impediments will be discussed with reference to two distinct approaches: (a) utilization of curvature and nanoscale topographies and (b) the stabilization of metastable phases that provide frustrated coordination. The latter approach has led to the discovery of promising intercalation hosts for Mg- and Ca-ions as well as F-ions.
9:00 AM Invited
Understanding Heterogeneous Electrocatalysis of Lithium Polysulfides: Leela Arava1; 1Wayne State University
Among several re-visited chemistries, though rechargeable lithium-sulfur (Li-S) batteries holds a significant promise as the next generation technology to replace lithium ion batteries, their development is still hampered by several challenges such as low cycle life, poor coulombic efficiency, and high self-discharge. As conventional carbon materials have poor adsorption towards dissolved polysulfides, search for alternative sulfur hosts has gained research interest in the Li-S battery field. Here, we preset a role of catalyst at the cathode surface to stabilize polysulfide shuttle process along with enhancement in its redox kinetics. The interaction between catalyst and polysulfide has been evaluated from the insitu spectro-electrochemical studies. The introduction of catalyst-based cathodes in the Li-S system is expected to open a new avenue for improving electrochemical performance.
9:20 AM Invited
Uncovering Structure-composition-property Relationships in Early Transition Metal Oxides for High Rate Energy Storage: Megan Butala1; 1Materials Science & Engineering
As batteries are employed in larger numbers and for increasingly diverse applications, there is interest in electrode materials with improved safety, availability, and cost relative commercialized electrodes. Early transition metal oxides are one alternative material family showing promising, especially for high rate applications. However, we don’t have a strong understanding of the role of composition, structure, and structural evolution with cycling for these materials, which tend to have large unit cells and complex structures. Motivated by this fundamental understanding, we report the study of related complex niobate electrode materials KNb3O8 and NaNb3O8. Using ex situ and operando X-ray diffraction and pair distribution function analysis, we identify local and average structure changes and relate them to cycling performance, as well as to other early transition metal oxides with compelling performance. This fundamental understanding is a necessary step toward the selection and design of electrode materials for the quickly evolving energy landscape.
9:40 AM Invited
Analytical Transport Network Theory for the Characterization and Design of Materials for Energy Storage Applications: Alex Cocco1; Kyle Grew1; 1U.S. Army Combat Capabilities Development Command
Analytical Transport Network (ATN) Theory was developed to provide a conceptual framework for understanding the link between 3-D microstructure and performance in electrode materials. Under the ATN framework, an electrode’s microstructure is considered as a set of channels that comprise a network. The microstructure is characterized according to the morphology of each channel and by the relative arrangement the channels within the network, i.e., their topology. The fundamental question that ATN aims to address is: How do morphology and topology influence the network’s transport properties and, more recently, its mechanical properties? In this talk, we provide an overview of the ATN approach, its implementation to 3-D voxel images (which is orders of magnitude faster than finite element analysis), and its recent extension to account for structural mechanical considerations. We conclude with discussion of how ATN could be integrated into a microstructural optimization framework.
10:00 AM Invited
Crystallographic Engineering of Battery Materials: Ananya Balakrishna1; 1University of Minnesota
Li-batteries are promising candidates for sustainable energy storage, although their use in high energy density applications is still a challenge. Key limitations of battery performance include the structural instability of battery materials with continuous usage, and high energy density requirements. The central aim of our research is to crystallographically engineer electrode microstructures, in order to enhance battery lifespan and energy storage capacity. We use martensite crystallographic theory and phase field methods to design a new generation of battery materials, which offer minimum volume changes and enhanced conductivity. In this talk, I will discuss crystallographic engineering of battery materials in two studies: First, I will present how repeated charging/discharging of battery affects electrode crystallographic texture making them brittle. Second, I will show how grain boundaries and edge-dislocations alter electrode's strength and Li-diffusion properties. Overall, our study provides a theoretical framework to crystallographically engineer battery materials with enhanced performance.
10:20 AM Break
10:40 AM Invited
Fast Charging of Li-ion Batteries: Aging and Diagnostics: Marco Rodrigues1; Daniel Abraham1; 1Argonne National Laboratory
Li-ion batteries are complex systems, in which many competing processes slowly contribute to performance fade. The nature and magnitude of this aging are highly dependent on how the battery operates. Extreme fast charging imposes a very specific set of challenges to the cell, with broad consequences to cycle life. In this talk, we will discuss modes of aging that are particular to cells that are repeatedly exposed to high currents, focusing on detection and diagnostics. Our work supports the design of experimental solutions, and informs the development of models capable of describing the intricate phenomena that emerge at faster rates.
11:00 AM Invited
On Spatiotemporal Nonuniformity of Lithium Electrodeposition: Aashutosh Mistry1; Venkat Srinivasan1; 1Argonne National Laboratory
Electrodeposition of metals has been long studied1 given the industrial and scientific relevance. Local depletion of cationic concentration1-3 has been widely recognized as the condition for the onset of irregular growth (equivalent to a limiting current). Such a signature, however, does not offer any insights into the local structure, for example, growth modes commonly recognized in solidification4,5. Present work analyzes electrodeposition as a front propagation problem. Short time dynamics is investigated to identify the unstable lengths. Furthermore, long-time dynamics is studied to elucidate growth structure. Complicating features like interfacial energy, nucleation sites, reaction kinetics are also discussed to isolate universality in electrodeposition growth. 1_Sand(1989)Proc.Phys.Soc.London_17_496 2_Bai_etal.(2016)EnergyEnviron.Sci._9_3221–3229 3_Monroe_and_Newman(2003)J.Electrochem.Soc._150_(10)_A1377–A1384 4_Mullins_and_Sekerka(1963)J.Appl.Phys._34_(2)_323 –3295_Mullins_and_Sekerka(1964)J.Appl.Phys._35_(2)_444 –451
11:20 AM Invited
Solid-state Divalent Ion Conductivity: Kimberly See1; Andrew Martinolich1; 1Caltech
Batteries based on divalent ions are attractive next-generation energy storage options because of their high capacity metal anodes. Realization of divalent batteries is blocked by a series of challenges posed by the use of divalent ions in electrochemical cells including suggested poor solid-state ion diffusion. Understanding solid-state divalent diffusion is important for the development of electrodes employing intercalation-type mechanisms, low impedance surface layers on metal surfaces, and solid-state electrolytes, to name a few. To begin developing the structure-property relationships that describe divalent ion diffusion, we will discuss Zn2+ conductivity in ZnPS3. ZnPS3 supports Zn2+ conduction with low activation energies of 350 meV, contrary to conventional wisdom. The low activation energy is facilitated by the flexibility of the [P2S6]4- polyanion. ZnPS3 represents one of the first electronically insulating, solid-state, inorganic, divalent ion conductors.