Advanced Materials for Energy Conversion and Storage VI: Energy Conversion and Storage III
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: 16B
Location: San Diego Convention Ctr

Session Chair: Zheng Chen, University of California, San Diego; Steven DeCaluwe, Colorado School of Mines


8:30 AM  
Oxidation of Nickel Coated AISI 430 Alloy for High Temperature Electrochemical Systems: Manoj Mahapatra1; Mark King1; 1University of Alabama at Birmingham
    Electrically conductive coatings are used to prevent oxidation resistance and chromium evaporation of metallic interconnects for high temperature electrochemical systems. We have studied the oxidation behavior of nickel coated AISI 430 alloy, as a model system, in humidified air and hydrogen as well. Thermogravinetric analysis and post-test structural and microstructural analyses reveal the oxidation kinetics and the mechanisms of oxide layers formation. Our work has two important findings. First, processing methods of nickel deposition influence the oxidation behavior. Electrodeposited nickel coating shows higher oxidation resistance than electroless method. Second, pretreatment of nickel coating in reducing environment significantly improves the oxidation resistance due to formation of intermetallic compounds.

8:50 AM  
Solid State Modification via Activated Reactive Consolidation for Fabrication of Mg2Si Thermoelectric Generators: Babak Alinejad1; Yuma Yamamoto1; Teruyuki Ikeda1; 1Ibaraki University
     Solid state reaction is a simple method for preparing intermetallic thermoelectric, but typically takes too long to produce single phase microstructure and it hardly leads to fully dense product. A considerable amount of energy is needed for the preparation of a sample in the method. By increasing the starting materials interface and decreasing the diffusion distance, it is possible to reduce the time and temperature needed for preparing full dense product. This can be performed by ball milling of brittle-ductile material which can leads to preparation of ductile nano particles and-or highly activates them significantly facilitates the exothermic reactions. In this work, we show that single-phase Al-Bi-doped Mg2-xAlxSi1-xBix components with superior thermoelectric properties can be successfully synthesized in a rapid single batch process at low temperature by activated reactive consolidation method.

9:10 AM  
Toward Multivalent Zinc-ion Batteries: A Look at Zinc and Na3V2(PO4)3: Jesse Ko1; Partha Paul1; Natalie Seitzman2; Ryan DeBlock3; Bruce Dunn3; Johanna Nelson Weker1; 1SLAC National Accelerator Laboratory; 2Colorado School of Mines; 3University of California, Los Angeles
    The rapidly growing field of multivalent batteries offers a path to a safer and more energy dense system compared to lithium-ion batteries. In particular, multivalent electrochemistry based on zinc can provide significant enhancement in capacity density (zinc: 5855 mAh cm−3 versus lithium: 2061 mAh cm−3). For prospective cathodes, since questions regarding Zn2+ intercalation remains largely unanswered, we explore the charge-storage properties of Na3V2(PO4)3 (NVP), by X-ray synchrotron characterization to elucidate potential−dependent structural changes during cycling. We ascribe the reversible electrochemical behavior of NVP to a two-stage intercalation process involving both Na+ and Zn2+. Moreover, we aim to understand the consequences of solvation/de-solvation to microstructural changes at the zinc metal interface during plating/stripping, by varying the ionic salt concentration in the electrolyte. The results of these findings present a comprehensive study of multivalent charge storage for a model cathode, coupled with insights into the dynamics of plating/stripping for zinc metal anodes.

9:30 AM  
Understand Behavior of Spinel Cathodes using Thermodynamic Modelling Technique: Weibin Zhang1; Dajian Li2; Keke Chang3; Yuan Yuan4; Hans Seifert2; 1Shandong University; 2Karlsruhe Institute of Technology; 3Ningbo Institute of Materials Technology and Engineering; 4Chongqing University
    Lithium-manganese oxide based spinel is attractive as cathode materials in lithium ion batteries (LIBs). The high-voltage (HV) spinels obtained by partially substituting Mn with other elements can provide even superior energy capacities and cyclability. However, due to a wide range of spinel solid solution and additional doping, it is extremely difficult to understand the intrinsic properties and evaluate the battery performance using the spinal cathodes. A complex CALPHAD (Calculation of Phase Diagrams) approach with special attention to describe the crystal structure as well as site occupations during spinel sintering and its applications is applied to systematically describe composition-structure-property-performance relationships for Li(-Ni)-Mn-O spinel cathodes. Depending on composition and crystallography, various properties relating key factors (cyclability, safety, and energy density) are quantitatively mapped and can be used as a guidance of cathode selection for LIBs. The current adopted research strategy enables efficient design of the new-generation multi-doped HV spinel Li(M,Mn)2O4.

9:50 AM  
Alloying Iron Foams with Nickel to Mitigate Kirkendall Microporosity Formation during Redox Cycling at 800°C: Stephen Wilke1; Andrew Geltmacher2; Patrick Callahan2; David Rowenhorst2; David Dunand1; 1Northwestern University; 2U.S. Naval Research Laboratory
    The lifetime of iron-based energy conversion and storage materials is limited during high-temperature oxidation/reduction cycling (e.g., in chemical looping or solid-oxide iron-air batteries) due to pulverization and sintering. Material degradation is typically attributed to the large phase transformation volume changes, but recently we have also identified Kirkendall porosity formation as a major underlying mechanism. Freeze-cast, lamellar iron foams (~70 vol. % porous) provide a promising architecture to accommodate the redox volume changes while facilitating redox gas transport, but during cycling the foams still densify and form a gas-blocking surface layer. To address the remaining Kirkendall effect, we fabricate and test alloyed iron-nickel foams (0-25 mol. % Ni) as a strategy to alter the solid-state diffusion kinetics and decrease Kirkendall microporosity formation. Using metallography, SEM/EDS, and X-ray tomography, we describe the role of nickel in microporosity formation, foam densification, and redox-induced structural changes.

10:10 AM Break

10:30 AM  Invited
Leveraging Reversible Chemistry for Materials Sustainability in Energy Storage: Zheng Chen1; 1University of California, San Diego
    The development of next-generation energy storage devices and systems for electric vehicles (EVs) relies on materials with significantly improved performance and lower cost. The increasing amount of lithium-ion battery (LIBs) consumption will result in the resource shortage and price increase of lithium and precious transition metals (Co, Ni etc.); the wastes generated from disposal of used batteries can cause severe environment pollution. In this context, design of energy-efficient recycling and regeneration process for spent batteries is attracting growing interest. From a reversible chemistry point of view, this talk will introduce a potential strategy to directly recycle and regenerate spent LIBs using a “non-destructive” approach, which will lead to new electrode materials that can show the same level of performance as the native materials. Such a strategy combines fundamental understanding and process optimization for remanufacturing of energy materials. Therefore, it can potentially offer a sustainable solution for future energy storage.

10:50 AM  
Mechanistic Understanding of Ion Intercalation and Phase Transformation Behavior in layered Materials at Atomic Scales: Shayani Parida1; Jie Chen1; Hetal Patel1; Avanish Mishra1; Arthur Dobley2; Barry Carter3; Avinash Dongare1; 1University of Connecticut; 2EaglePicher Technologies LLC; 3Sandia National Laboratories
    The design and discovery of layered materials for next-generation Lithium-ion batteries (LIBs) require a thorough understanding of ion intercalation mechanism and the accompanying structural accommodations. Density functional theory (DFT) calculations are carried out to investigate the energetics and mechanisms of ion binding and diffusion in various phases of thin films of layered materials. The energetics of phases with various Li concentrations suggest that lithiation of consecutive layers induces a phase transformation of adjacent 2H-MoS2 layers to 1T phase. Comprehensive computational study of the energetics of ion intercalation and structural accommodation in a family of layered materials to identify the links between the atomic scale structure, chemistry and the mechanisms of intercalation-induced phase transformations will be presented. These results parallel insights gained from in-situ TEM studies. This work is being supported by NSF grant No. 1820565. CINT is an Office of Science NSRC User Facility operated for the U.S. DOE.

11:10 AM  
Study on Oxygen Lance Injection Technology of High Nickel Ternary Cathode Material Roasting Process in Roller Hearth Furnace: Zhong-Ling (Rocky) Wei1; Joachim Von Scheele1; Zhang Gang2; Qian Xu2; 1Linde Technology & Innovation Asia Pacific; 2Zhongtian Energy Materials Co., Ltd.
    The roller hearth furnace is used commonly in the high nickel ternary material roasting process. Base on CFD analysis and operating data, it has been found that the temperature and atmosphere inside the furnace is rather uneven in the heat-up and holding zones. In order to improve atmosphere uniformity and oxygen utilzation, an oxygen lance and atmosphere control system was developed and installed in one pilot line for trial. The roasting process for the cathode material was examined and optimized by tests in the furnace with different lance positions and oxygen injection rates. It could be concluded that the oxygen injections significantly increased and enhanced the reactions of the high nickel materials. It is possible to draw a reaction picture from the inside of the furnace, and one realizes that the reaction is strongest at the beginning, and the speed of the internal reactions increases due to the emergence of the new generated CO2. These subsequent reactions can also be influenced and optimized via the lances. The results prove the roasting process has room for further improvements and cost reductions by optimising the energy input at the heat up, and some suggestions are presented.