Advanced Materials for Energy Conversion and Storage 2023: Poster Session
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
Monday 5:30 PM
March 20, 2023
Room: Exhibit Hall G
Location: SDCC
Session Chair: Partha Mukherjee, Purdue University; Eric Detsi, University of Pennsylvania
Aluminum-Anodes for Metal-Air-Batteries: Janne Max Heydrich-Bodensieck1; Sören Müller2; 1Extrusion Research and Development Center; 2Extrusion Research and Development Center, Technical University of Berlin
Light-Metal-Air-Batteries are a promising alternative to Lithium-Ion-Batteries. The theoretical specific energy density of aluminum at 8000 Wh/kg passes over 600 Wh/kg of Lithium-Ion-Batteries, significantly. Aluminum offers the second highest metal deposit in the Earth’s crust. A low density of 2,7g/cm³ offers further potential for weight reduction. The major challenges with Aluminum-Air-Batteries are the unwanted development of a passivating oxide layer on the anodes surface and the “Parrasitic Corrosion”, a hydrogen evolution caused by free electrons released by corrosion. Research works have shown, that a reduction of an anode’s grain size will achieve a higher energy density and a lower hydrogen evolution. In addition, a 3-D-surface-structured anode provides a bigger active surface, and therefore a higher performance. Extrusion was chosen as a well-known process meeting the potential of a production at industrial scale. Al-Anodes manufactured from cast (Al 99,8%), extruded (Al 99,8%) and foam (Al 99,5%) were compared in corrosion- and battery-performance-tests.
Cancelled
Atomic Level Understanding of the Na Hosting Environments in Hard Carbon Anodes for Sodium Ion Batteries: Wesley Surter1; Edward Koh2; Xiulei Ji3; Michelle Dolgos4; Peter Greaney5; 1University of Liverpool; 2Harvard University; 3Oregon State University; 4University of Calgary; 5University of California, Riverside
Sodium ion batteries are an attractive alternative to lithium–ion batteries for grid-scale energy storage applications due to sodium's high natural abundance and low cost. For these, hard carbon (HC) is the most promising anode material; however being amorphous, HC offers a variety of environments in which to host Na and which of these hosting sites are occupied first is still not settled. In this study we combine total neutron scattering characterization of a systematic set of sucrose–derived HCs with atomistic modeling and machine learning to generate an atomistic understanding of the types of environments that HC offers for hosting Na. This work reveals the importance of a class of overlooked defect binding sites that arise at creases or pleats in graphene domains and provides guidance for synthesis of optimal HC anodes.
D-1: Computational Study for Structural Evolution and Ion Migration in Li-Mn-rich Layered Electrode: Zhuoying Zhu1; Xin He2; Robert Kostecki1; Anubhav Jain1; 1Lawrence Berkeley National Laboratory; 2Sichuan University
Li-Mn-rich (LMR) cathode is a promising candidate as a successor of standard NMC cathodes for lithium-ion batteries. It utilizes both cationic and anionic redox which yields a substantial increase in the battery energy density as a potential new class of high-energy electrodes. In this talk, we will focus on the DFT calculations of LMR NMC cathode based on the following aspects: (1) the general trend of TM ordering patterns in the TM layer for LMR cathode, (2) oxygen vacancy local environments and (3) Li migration barriers change with and without the oxygen vacancies. A comparative study of the redox activities at very different current rates for both TM cations and oxygen anion was conducted by directly accessing their oxidation states. With the help of first-principles computation and advanced characterization techniques, we present our understanding of the charge compensation mechanism, structural evolution, and ion migration in this LMR cathode material.
Development of High Energy-density and High-power Density Lithium-ion Capacitors Based on MnO2/GO Nanocomposite Electrode for Energy Storage System: Mariam Binari1; Daniel Choi1; Faisal Almarzooqi2; Abhishek Lokhande1; 1Khalifa University; 2Khalifa University
The combination of lithium-ion batteries and supercapacitors makes lithium-ion capacitors (LICs) the ideal energy storage device for commercial applications. LIC exhibits the collective properties of the battery (high-energy density) and the supercapacitor (high-power density). In this work, a composite material with the unique architecture of graphene oxide (GO) encapsulation on the MnO2 nanorods is fabricated as an anode for LIC. The MnO2/GO composite electrode is fabricated using a hydrothermal method. Detailed electrochemical analysis reveals the superior charge storage ability of the composite electrode. In the half-cell configuration, the composite electrode exhibits a high initial discharge capacity of 1300 mAh/g at 0.2 C current density. A superior rate capability is obtained as the composite electrode holds a high discharge capacity of 1100, 900, 700, 300 mAh/g at the current density of 0.5, 0.7, 1, and 2 C, respectively. The LIC fabricated using the MnO2/GO composite anode demonstrates superior electrochemical performance.
D-2: Electrochemical Hydrogenation of Furfural to 2-Methylfuran under Mild pH Environment over Silver/Nanoporous Copper Catalyst: Yu-Shuo Lee1; Wen-Yueh Yu1; I-Chung Cheng1; 1National Taiwan University
Biomass and biofuel, such as 2-methylfuran, has been regarded as a potential chemical to replace fossil fuels or additive for gasoline. Compared to hydrodeoxygenation or catalytic hydrogen transfer, electrochemical hydrogenation (ECH) provide a sustainable method for furfural hydrogenate to 2-methylfuran without high-pressure hydrogen gas or toxic reaction agent during the reaction. In this research, an over 60% faradaic efficiency of 2-methylfuran was achieved by ECH of furfural with extremely low H2 produced (less than 1%) in an acetate buffer (pH is ca. 5) under a potential of -0.6 V (vs. RHE). The enhanced faradaic efficiency of ECH of furfural to 2-methylfuran was promising compared to other published catalysts under the same condition. The key catalyst was synthesized by the impregnation of silver on nanoporous copper with ligament size around 50 nm. The product selectivity of ECH of furfural could be simply controlled by loading silver on nanoporous copper catalyst.
D-3: Enhanced Reversibility in Calcium Chloride Hexahydrate with Nucleation Agents for Thermal Energy Storage Applications: Denali Ibbotson1; Sophia Ahmed1; Patrick Shamberger1; 1Materials Science and Engineering, Texas A&M University
Thermal energy storage (TES) systems that utilize phase change materials (PCMs) can increase efficiency and decrease peak energy demand in heating and cooling systems. Salt hydrates are of interest due to their high thermal conductivities, high energy densities, and low cost, but can experience undercooling, which can result in phase segregation in eutectic systems. To counter these issues, nucleation agents are added to systems to induce nucleation and suppress formation of metastable phases. This study investigates the dependence of undercooling in calcium chloride hexahydrate on crystal structure, chemistry, and the solubility of a suite of inorganic nucleation agents. Barium-based, insoluble nucleation agents result in at least a 10 °C decrease in undercooling and more consistent solidifying behavior (less than 10 °C variations of solidification temperatures). This observed behavior overcomes a principal limitation of salt hydrate TES materials, allowing for their potential utilization in HVAC systems and building thermal management.
Fabrication and Electrochemical Characterization of Si-C Hybrid Nanocomposites for High-performance Li Ion Batteries: Aamna Hameed1; Daniel Choi1; 1Khalifa University of Science and Technology
Commercially used graphite anodes in Lithium-ion batteries (LIBs) have low theoretical specific capacity of 372mAh g−1. Therefore, silicon (Si) can be considered as an effective anode material due to its high theoretical specific capacity of 4200 mAh g−1 and suitable working potential of ∼0.4 V vs. Li/Li+. However, Si-based anode exhibits a serious problem of capacity decay due to volume expansion during charging cycles (about 400% of its original size). The current work is aimed to solve this issue (volume expansion) by encapsulating Si nanoparticles by carbon (Si-C). Polydopamine is used as an encapsulant to provide pathway for Li+ ion transport and buffer Si volume expansion during electrochemical cycling. The structural and morphological properties of Si-C are evaluated using techniques such as X-ray diffraction (XRD) and scanning electron microscopy (SEM). The fabricated Si-C anode demonstrated a high initial discharge capacity of ~3500 mAh g-1 reflecting its promising nature for LIBs.
D-46: Fabrication of the Seamless Stainless Tube for Hydrogen Refueling Stations: Yoon Oh1; Sungmo Hong2; 1Research Institute of Science and Technology; 2Sechang Steel
A compressed gas is the simplest solution for the storage and tranportation of hydrogen, so the most of hydrogen refueling stations (HRS) has adopted the high-pressure gaseous storage system. Because the tubes installed in HRS are exposed to hydrogens gas at high pressure of 87.5 MPa, STS316L seamless tubes are widely applied to prevent explosion as well as the hydrogen embrittlement. Due to the low strength of STS316L, however, the inner diameter of the tubes are less than 8 mm for 9/16 inches tubes, which could limit gas flow rate of HRS. Here we introduce the new alloy system and an effective fabrication process that can replace the STS316L seamless tubes. The seamless tubes with new alloys are fabricated by hot piercing process shows not only good mechanical properties of 850 MPa in strength and 35% elongation but also good resistance to the hydrogen embrittlement.
D-4: In-situ and Ex-situ Surface Engineering, Processing, and Characterization of PLA-based Biocompatible Composites Using Micro-plasma-based Techniques: Manan Sehgal1; Prakhyat Gautam1; Edgar Lopez2; Saquib Ahmed3; Sankha Banerjee1; 1California State University, Fresno; 2University of California, Merced ; 3State University of New York at Buffalo State
The following work focuses on the surface modification and processing of soft PLA and PLA-Graphene composites using corona discharge-based microplasma in ambient conditions. The work includes both in-situ and ex-situ-based processing using a proprietary plasma integrated 3D printing system developed in the Energy Devices and Plasma Applications Laboratory at California State University, Fresno. The current-voltage characteristics of the plasma are varied based on the use of a quasi-static DC discharge with a variable voltage of 1 kV to 2.2 kV. The surface characterization of the 3D printed geometries is performed using profilometry and scanning electron microscopy. The surface energy and wettability characteristics are studied using a contact angle goniometer. The electrical properties of the surface are characterized using impedance spectroscopy.
D-5: Investigation Mechanical Process of New Alloy Electrode Using All Solid State Battery: Sangwoo Kim1; DongEung Kim1; 1Korea Institute of Industrial Tech
Li-metal battery is expect as next generation energy storage device because the high theoretical energy density and high safety LIB. However, the practical high capacity battery of Lithium batteries is still limited owing to the cycle stability. In particular, the instability in the metal foil and at the surface of the lithium anode during charge and discharge cycling becomes a huge obstacle for the ASS LiB. This study based on the consideration of improving the stability in the foil roughness and at the surface of the lithium anode. In the study was applied with lithium and lithium alloy of anode, and the cathode was designed and manufactured under the general conditions of ASS battery. The charge/discharge test was carried out under the same conditions (70°C, 0.1C).In results to, investigating surface stability of morphologies of Li and Li-Mg foil is characterized before and after cycle stability test.
D-6: Lithium-Ion Battery Silicon Anodes: Reducing Mechanical Degradation through Morphological Design: Sierra Gross1; Meng-Ting Hsieh1; Ali Mohraz1; Daniel Mumm1; Lorenzo Valdevit1; 1University of California, Irvine
Silicon (Si) anodes for lithium-ion batteries are desirable due to their high theoretical capacity and low working potential. However, Si undergoes large volume variations (~300 vol%) during cycling that can lead to mechanical degradation and loss of active material, resulting in an overall decline in electrochemical performance. Efforts to mitigate this include the use of composites and nanostructures, which decrease active material loading or require complex synthesis routes. Alternatively, bicontinuous porous architectures with conductive backbones and thin coatings of Si have proven promising for balancing power and energy density, while maintaining mechanical integrity. This project uses finite element analysis to study the mechanics of Si layers coated on spinodal, inverse opal, gyroid, and Schwartz primitive nickel backbones during expansion. This presentation will highlight the importance of surface curvature, and show the promise of spinodal structures for alleviating expansion-induced mechanical degradation while also being amenable to scalable synthesis routes.
D-7: Mechanical Testing of Novel Chromium Superalloys Strengthened by Intermetallic Precipitates: Tom Blackburn1; Kan Ma1; Rebeca Hernandez2; Marta Serrano2; Alexander Knowles1; 1University of Birmingham; 2CIEMAT
Next-generation Concentrated Solar Power (CSP) concepts seek the improved thermal efficiencies offered by supercritical CO2 Brayton cycles >700oC, but these push beyond the capabilities of state-of-the-art superalloys. Novel chromium (Cr) based superalloys are considered as an attractive candidate with their high melting point, low cost, and oxidation/corrosion resistance. However, chromium and its alloys are currently limited due to their poor room temperature mechanical properties. This work develops novel Cr-based superalloys, where the bcc chromium matrix is strengthened by ordered-bcc NiAl intermetallic precipitates, alongside other alloying additions. Alloys have been designed using CALPHAD methods and microstructures characterised using electron microscopy and atom probe tomography. Advanced mechanical test, including small punch, have been performed to investigate the hardness, strength at high temperatures, ductile-brittle transition temperature (DBTT) and creep resistance of the developed alloys, benchmarked against state-of-the-art materials.
Modelling and Optimization of Nanofiber-based Triboelectric Nanogenerators: Chenxi Yuan1; Neda Mohaghegh2; Ensieh Hosseini1; 1Department of Engineering, Durham University; 2Terasaki Institute for Biomedical Innovation
Triboelectric nanogenerators (TENGs) are flexible, efficient, and cost-effective energy harvesters which convert ambient mechanical energy to electrical energy. Despite the simple structure of TENGs, there are different parameters that can improve the output performance of the device, such as relative permittivity of the tribo-contact materials, the electrode gap distance, the contact area surface texture, and thickness. Using the simulation process can obtain the optimal parameter and reduce the time and cost involved in the fabrication of multiple devices. In this work, triboelectric nanogenerators with different nanofiber polymer pair materials (e.g., PVDF, PLLA, PET) have been designed and theoretically investigated using a FE simulation tool. The effect of the material properties and geometric configuration (structural parameters) of TENGs design on the surface potential and output power generation have been calculated.
D-8: Non-destructive Evaluation of Defects in Composite Pressure Vessels for Hydrogen Storage: Sushrut Karmarkar1; Vikas Tomar1; 1Purdue University - School of Aeronautics and Astronautics
The need for renewable sources of fuel in the industrial, automotive and transport sectors in the past decade has led to rapid development in the use of hydrogen as a clean and efficient fuel alternative. In the automotive sector Fuel Cell Electric Vehicles (FCEVs) are increasingly using carbon, aramid, and glass fiber composite pressure vessels to store hydrogen fuel. Evaluation of the manufacturing and in-service defects and damages are a key challenge in the safe use of such pressure vessels. Mechanical impact damage at the surface and through thickness propagation in the composite structure is studied using terahertz – time domain spectroscopy (THz-TDS). The effect of mechanical impact on pressure vessel performance is evaluated using the THz-TDS data for the various damage mechanisms like delamination, void formation, and matrix cracking. Current non-destructive evaluation techniques are reviewed and compared against results from THz-TDS.
D-9: Novel Thermal Barrier Coatings Stable up to 1700°C: Melina Endsley1; Thomas Drtina1; Erin Lewis1; Collin Holgate1; Akane Suzuki2; Joshua Margolies3; Carlos Levi1; Tresa Pollock1; 1University of California Santa Barbara; 2GE Research; 3GE Gas Power
Advanced thermal barrier coatings (TBCs) enable natural gas turbines to operate at higher temperatures and therefore higher efficiencies. A TBC must exhibit multiple, often competing, properties, including: thermochemical compatibility with the thermally grown aluminum oxide generated by the bond coat, strain tolerance, typically requiring low in-plane compliance as needed to moderate CTE mismatch as well as high sintering resistance, and high toughness. Novel TBC compositions based on rare-earth stabilized HfO2 or ZrO2 have been synthesized and investigated using diffusion couples, electron microscopy, dilatometry, and indentation. While the compositions initially investigated exhibit shortcomings, mitigating strategies using bilayer coatings have been implemented and will be discussed.
D-10: Rapid Thermal Buffering via Sorption based Energy Storage Materials: Sourav Chakravarty1; Wenting Mo1; Patrick Shamberger1; 1Texas A&M University
Sorption-based thermal energy storage (TES) materials have the potential to improve system efficiency and reduce the mass and complexity of thermal management systems. However, they are limited by 1) slow response times, particularly time associated with the absorption recharge process and 2) insufficient energy storage densities. Here, we investigate desorption/ evaporation from an open composite TES materials system, recharged using liquid water. The recharge time is improved by an order of magnitude over traditional vapor recharge time while achieving reversible energy storage densities greater than 1 MJ/kg over >100 cycles. We introduce binder density-chemistry, hydration level, and external pressure as tunable parameters to achieve varying cooling powers. We report transient temperature rises for heat fluxes up to 4 W/cm2. This combination of extremely high energy density and high cooling power capacity hold promise for a range of thermal management applications, specifically in aerospace and automotive industries.
D-11: Reversible Aqueous Formate-based Na-CO2 Battery Enabled through Earth-abundant Nanoporous Metals: Jintao Fu1; Eric Detsi1; 1University of Pennsylvania
Metal-CO2 battery is a promising approach towards reducing greenhouse gas emission. State-of-the-art Li-CO2 battery possesses high cell voltage and energy density; however, its discharge products (usually solid Li2CO3 and carbon) will aggregate on the cathode surface resulting in large overpotential during subsequent charging. One solution to this issue is to convert the discharge products from insulating solids into soluble liquids: recently reports have shown the feasibility by using nanoporous Pd as bifunctional electrocatalyst to reversibly convert CO2 into formic acid in aqueous electrolyte. Despite the low charge overpotential reported, Pd is novel and costly, which hinders the scale-up application. In this talk, I will present our results on Na-CO2 system (Na is more abundant and cheaper than Li) where Earth-abundant nanoporous materials, i.e., nanoporous Sn, is used as electrocatalyst towards reversible CO2 reduction and formic acid oxidation, with Na metal as anode and NASICON as solid-state electrolyte.
D-12: Spectroscopic Investigation of Long Cycling Al-ion Batteries Enabled by Ionic Liquid Electrolytes with Organic Additives: Zhen Wei1; Maya Smith1; Yiwen Wang1; Mieko Smith1; Ruigang Wang1; 1University of Alabama
Aluminum-ion battery is a very promising rechargeable battery system due to its natural abundance, high theoretical energy density and three-electron redox reactions of aluminum species. In this research, we prepared a series of ionic liquid electrolytes by mixing 1-ethyl-3-methylimidazolium chloride (EMIC) with anhydrous aluminum chloride (AlCl3) at different molar ratios (AlCl3‒[EMIm]CI molar ratio = 1:1 to 1:2) for Al-ion batteries. The speciation of chloroaluminate anions AlCl4− and Al2Cl7− in the as-prepared ionic liquid electrolyte samples was quantified by Raman spectroscopy which can fingerprint the species present and relative concentration of each species. In addition, organic solvent (Dichloromethane, DCM) was used as additive materials to reduce the viscosity and enhance the conductivity of ionic liquids. The battery with DCM additive shows lower overpotential, higher discharge capacity and excellent rate capability, which was due to its low viscosity and high conductivity.
D-13: Surface Engineered TiO2 Nanostructures as Effective Cathode Host Materials in Li-S Batteries: John Barlow1; Ruigang Wang1; 1University of Alabama
One of the greatest challenges facing our world today is the storage and distribution of electrical energy. To address this issue, we are investigating the use of titanium oxide nanotubes as a polar host material to stabilize lithium-sulfur batteries. Lithium sulfur batteries boast a theoretical energy density much greater than current lithium-ion batteries (1675 mAh/g vs 372 mAh/g). They are currently limited by phase instability of the sulfur cathode, leading to capacity loss due to the shuttling effect. Using titanium oxide nanotubes to confine the cathode chemically and physically has shown to be an effective solution. Testing of these cells is still underway, however initial results at high charge rates have shown promising results, an average energy density of 555 mAh/g at a charging rate of 1C (3.216 mA), with an energy density of 524 mAh/g after 300 cycles, showing an only 0.019% capacity loss per cycle.
D-14: Surface Oxidation of MNiSn (M=Ti, Zr, Hf) Half-Heusler Alloys: Oshrat Appel1; Shai Cohen1; Ofer Beeri1; Yaniv Gelbstein2; Shimon Zalkind1; 1NRCN; 2BGU
Half-Heusler semiconductors have a very high potential asthermoelectric materials in waste heat recovery devices at elevated temperatures. It is crucial to consider the environmental stability of the alloys at working conditions and therefore it is required to characterize their oxidation behavior. AES and XPS techniques were utilized to study the surface composition and the oxidation of the MNiSn (M=Ti, Zr, Hf) alloys by oxygen and water vapor at RT and 1000K. During heating in vacuum, Sn segregated to the surface, forming a sub-nanometer overlayer on the surface. Exposing the alloys to oxygen at RT and at 1000K has caused the formation of Ti, Zr and Hf oxides. It was found that HfNiSn is more susceptible to water vapor, while the oxidation of TiNiSn was more severe by oxygen. The oxidation of the MNiSn alloys implies that appropriate sealing of the thermoelectric devices is necessary in order to protect them.