Advanced Materials for Energy Conversion and Storage 2023: Energy Conversion and Storage Mix 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; Soumendra Basu, Boston University; Paul Ohodnicki, University Of Pittsburgh; Eric Detsi, University of Pennsylvania

Thursday 2:00 PM
March 23, 2023
Room: 32B
Location: SDCC

Session Chair: Surojit Gupta, University of North Dakota; Partha Mukherjee, Purdue University


2:00 PM  Invited
Development of Novel Green Manufacturing Technologies for Fabricating Functional Materials: Surojit Gupta1; 1University of North Dakota
    There is a vital need for greening of materials manufacturing by incorporating Circular Economy perspective. In this presentation, I will summarize the recent developments in my research group in sustainable manufacturing. The presentation will be divided into two parts. During part A, I will present development in manufacturing of novel materials by using biomass. During part-B, I will present recent results on greening of ceramics manufacturing. During both parts, I will present detailed characterization and microstructural studies. It is expected that these novel materials can be potentially commercialized.

2:25 PM  Invited
Grain Boundary Metal-Insulator Transitions in Polycrystalline LiCoO2: Lucas Robinson1; Jarrod Lund1; KSN Vikrant2; Edwin Garcia1; 1Purdue University; 2IIT Delhi
    Surfaces and interfaces in ionic ceramics play a pivotal role in defining the transport limitations in many of existing and emerging applications in energy-related systems, including fuel cells, rechargeable batteries, as well as electronics such as those found in semiconducting, mixed ionic, ferroelectric, and piezotronic applications. By starting from a thermodynamically consistent phase field formulation, the metal-insulator transition in polycrystalline LiCoO2 is presented. Effects such as the grain boundary lithium segregation, interfacial misorientation, and the size of the abutting grains are assessed. Regimes of behavior are identified.

2:50 PM  Cancelled
Optically Sensitive Mott-insulator for Supercapacitor: Abha Misra1; 1Indian Institute of Science
    Metal oxides, so far have widely been used for electrochemical energy storage due to the presence of both electric double layer and pseudo capacitance for large contribution in energy density. Titanium sesquioxide, (Ti2O3) known among the Mott-insulators with a narrow bandgap of ~ 0.1 eV is studied for many years. Temperature dependent electrochemical characteristics demonstrated a tunable charge density attributing to the electric double layer. Moreover, at room temperature, infrared illumination on Ti2O3 based solid-state electrochemical capacitor has an added advantage of charge transition across its bandgap and hence much improved contribution to the energy density. A high enhancement in electrochemical capacitance (~3500%) at room temperature attributed to enhanced space-charge contribution from the transition across bandgap due to the infrared illumination. The novel study demonstrated extraordinary enhancement in capacitance by exploiting the electronic transition of Mott-insulator Ti2O3 with high thermal and electrochemical stability.

3:10 PM  
Structural Integrity at Elevated Temperature Assessment of Solid Particles for Concentrated Solar Power Systems Using ICME Approach: Napat Vajragupta1; Tatu Pinomaa1; Matti Lindroos1; Abhishek Biswas1; Tom Andersson1; Anssi Laukkanen1; Lassi Linnala1; 1VTT Technical Research Centre of Finland Ltd
    Solar power (CSP) systems in the s-CO2 Brayton cycle use large mirror areas to concentrate solar radiation onto the receiver and provide this energy to a heat transfer medium for producing electricity in a conventional steam cycle. For the heat transfer media, solid particles offer a tremendous advantage over air because they can be directly used as thermal storage media. However, besides heat transfer properties, particles’ structural integrity at an elevated temperature is crucial because they must withstand extreme mechanical loads at a high temperature. Here, we propose the ICME approach to understand the microstructure-property relationships of the solid particles with the focus on the multiscale materials modeling to quantitatively describe how microstructural features of solid particles govern their mechanical properties at elevated temperatures and various strain rates. The knowledge gained can shorten the time required for designing the microstructure of solid particles with an improved lifetime.

3:30 PM Break

3:50 PM  Invited
How Safe Are Solid-State Batteries? An Exploration of Heat Release: Alex Bates1; Jill Langendorf1; Joshua Lamb1; Yuliya Preger1; Loraine Torres-Castro1; Megan Diaz1; 1Sandia National Laboratories
     Solid-state batteries (SSBs) are often promoted as safe due to the replacement of flammable liquid electrolyte with a stable solid electrolyte. However, SSBs are high energy density devices and as such, may contain relevant heat release pathways impacting safety. This talk will highlight our thermodynamic modeling and calorimetry studies on SSB components and microcells (4 mAh), and the subsequent materials characterization probing potential reaction pathways.Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

4:15 PM  
Probing the Role of SEI Heterogeneity on Sodium Plating and Stripping: Susmita Sarkar1; Partha Mukherjee1; 1Purdue University
    The intrinsic instability of sodium (Na) metal anode in the presence of liquid electrolyte leads to the formation of solid electrolyte interphase (SEI) layer. An ideal SEI layer should prevent further electrolyte decomposition while restraining surface roughening and dendrite growth. However, heterogenous plating/stripping during the charging/discharging of the Na metal leads to dendritic growth and cell failure. In this work, we found the mutual influences of heterogeneous SEI formation on vigorous Na growth and accumulated Na stripping. Fluoroethylene carbonate (FEC) is a well-recognized additive for the formation of a stable SEI layer in Lithium-ion electrolyte. Here, we examined the role of FEC in the quality of the sprouted SEI layer and its influence on preferential plating/stripping of the Na metal. The different stages of surface impedance evolution, overpotential development, and surface morphologies growth/dissolution will be explored here to understand the reversibility of Na in different electrolytes.

4:35 PM  
Micro Plasma-based Surface Modification of Biocompatible Polymers and Composites towards the Modification of Surface Properties for Biomedical Applications: Mai Yang1; Edgar Perez-Lopez1; Edbertho Leal-Quiros2; Saquib Ahmed3; Sankha Banerjee1; 1California State University, Fresno; 2University of California, Merced; 3State University of New York at Buffalo State
    The use of 3D printing scaffolds has become popular because of its optimal customization and process time. Polylactic Acid (PLA) is a commonly used biocompatible and biodegradable filament material in 3D printing. However, PLA is naturally hydrophobic. Cell growth and cell adhesion on biocompatible polymers are affected by the surface energy properties and the interface. This study is focused on mitigating these problems by incorporating plasma micro-discharge surface modification to tailor the surface roughness characteristics of PLA towards the development of biocompatible substrates for enhanced cell adhesion and growth. There is limited research exploring how changes in plasma parameters affect the wettability and surface energy characteristics of materials. Consequently, this work will also review the changes of 3D printed PLA in wettability, surface roughness, and surface morphology as the input voltage of the plasma micro-discharge treatment (atmospheric pressure-based corona discharge) is varied.

4:55 PM  Invited
Hybrid Halide Solid Electrolytes and Bottom-up Cell Assembly Enable High Voltage Solid-state Lithium Batteries: Beniamin Zahiri1; 1University of Illinois Urbana-Champaign
    Interface between chloride based solid electrolytes (SEs) and layered transition metal oxide cathodes has been found to be electro-chemically stable at >4V range. The extent of interfacial stability is correlated with the type of ionic species in the SE, a fact supported by theory and yet, not accurately measured in composite cathode mixtures. By using a dense additive-free cathode, we have identified differences in interfacial stability of fluorinated chloride SEs hidden in composite cathodes. Introducing fluoride expands the oxidation stability while lowering ionic conductivity. We demonstrate a change of solid-state battery assembly from conventional to a bottom-up assembly route starting with dense cathode, thin (<20µm) layer of SE and anode, compensates for the suppressed conductivity and show stable cycling of LiCoO2/hybrid halide SE up to 4.4V vs. Li. Our findings pave the way for expanding the voltage stability of SEs without compromising the cell performance due to ionic conductivity overpotential.