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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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16 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

ARIES/Flatirons Facility - Hydrogen System Capability Buildout

Under the "Advanced Research on Integrated Energy Systems" (ARIES) initiative, hydrogen system capabilities including a MW-scale electrolyzer, storage system, and MW-scale fuel cell generator will be designed and commissioned at NREL's Flatirons Campus. This hydrogen infrastructure will support H2@Scale goals by enabling integrated systems R&D to study the science of scaling for hydrogen energy systems.The system is designed with flexibility to provide a testbed to demonstrate systems integration, grid services, energy storage, direct renewable hydrogen production, and innovative end use applications (e.g. HD transportation, natural gas blending, etc.).

Advanced Research on Integrated Energy Systems↗
DOE OSTI2022

Chapter 8: Life-Cycle Testing and Analysis

Prior to a spacecraft launch, program mission assurance standards dictate that the flight battery power system should comply with mission requirements under the intended operating conditions. Ground life cycle testing (LCT) combined with an analysis on the electrical power system (EPS) battery is an empirical method used to demonstrate compliance to satellite service life requirements. The LCT compliance method adopted by the aerospace industry is based on demonstrating a space battery's life expectancy as a part of battery qualification. Real-time cell and lithium-ion battery (LIB) LCT data are commonly used for model inputs to EPS power and energy balance analyses, in LIB reliability analysis estimates, and to support on-orbit spacecraft mission life extension opportunities. This chapter describes the LCT planning steps, process approach, and analysis techniques commonly used to qualify space LIB power systems.

accelerated aging↗
DOE OSTI2022

A Robust Numerical Treatment of Solid-Phase Diffusion in Pseudo Two-Dimensional Lithium-Ion Battery Models

Solid-phase diffusion in active materials of lithium-ion batteries significantly affects charging and safety-related behavior of lithium-ion batteries. Therefore, it is essential to develop an efficient and robust numerical algorithm for solving solid-phase diffusion equations in physics-based battery models. In this work, we discuss the origins of numerical instabilities that can occur when solving the solid-phase diffusion equations using iterative methods. Then, in order to resolve such issues, we propose a simple numerical treatment to the surface flux term of discretized solid-phase diffusion equations. To demonstrate its numerical robustness, the proposed method is implemented into a pseudo two-dimensional (P2D) physics-based battery model and simulations are conducted at wide ranges of operating conditions. Even with extremely poor initial guesses for the Li+ concentrations of the active materials, computations using the proposed method do not diverge and the their computational speeds are comparable to those with conventional initial guesses. Comprehensive tests of the proposed method are also performed with a dynamic current profile based on US06 driving profile and a multi-stage charging profile with very high initial C-rate (12C).

battery modeling↗
DOE OSTI2023

Neutron diffraction probing hydrogen in monoclinic H 2 VOPO 4

Light hydrogen atoms are resolvable with neutrons; however, the massive incoherent background inhibits the diffraction quality. To improve the signal, isotope treatment by deuteration becomes a prerequisite for a successful crystallographic understanding of hydrogen-containing materials by neutron diffraction. Thanks to the low-background and high-resolution time-of-flight neutron diffractometer, this work demonstrates a direct and successful measurement of high-quality neutron diffraction patterns of H 2 VOPO 4 powders, a precursor of a high-capacity alkali-ion battery cathode. The Rietveld refinement identifies the hydrogen coordinates, occupancy, and thermal parameters in the H 2 VOPO 4 lattice. Finally, the result highlights the unique capability of neutron diffraction for the structure characterization of hydrogen-containing materials, potentially without requiring costly and possibly artifact-inducing deuteration for neutron diffraction.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comprehensive Characterization of Multi-Phase Sulfurized Polyacrylonitrile Cathodes for Lithium-Sulfur Batteries

Sulfurized polyacrylonitrile (SPAN) is considered one of the most promising cathode materials to overcome the operational challenges that plague lithium-sulfur (Li-S) batteries. However, material properties and electrochemical performance implications of SPAN prepared under different synthesis conditions are not yet fully investigated. In this study, we show the impacts of different synthesis conditions on the formation of sulfur to PAN bonds and redox reaction mechanisms of multi-phase SPAN via comprehensive material and electrochemical characterizations. In-situ Raman analysis was first applied to study the multi-phase SPAN-based Li-S cells. We found that both elemental sulfur and chemically bonded sulfur are present under the synthesis condition of 300 degree C/3 h along with unreacted PAN. The incompletely sulfurized, multi-phase SPAN exhibited an unusually rapid capacity degradation in the resultant Li-S cells, which is attributed to polysulfide formation and continuously growing interfacial impedance in the Li-S cells. On the other hand, SPAN samples prepared under the synthesis condition of 350 degree C/3 h are found completely sulfurized with chemically bonded sulfur to the PAN backbone without the presence of free elemental sulfur. Complete sulfurization of SPAN led to exceptionally stable cycle performance due to excellent reversible redox processes of chemically bonded sulfur with Li+ in the Li-S cells.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗
DOE OSTI2024

Direct Recycling of End-of-Life Cathode Material Through Redox Chemistry Mediators

Lithium-ion batteries (LIBs) are ideal for electric vehicles and electronic devices because of their high-power density and outstanding cycle life. The need for recycled LIBs material is pivotal for the sustainability of the renewable energy industry. The recycling process needs to be both economically and environmentally conscious. Direct recycling is cheaper and generates the least amount of waste compared to pyrometallurgical and hydrometallurgical processes. Direct recycling explored in this work is useful for reclaiming precious minerals from the End-of-Life (EOL) LIBs material. The EOL material has varying lithium deficiency, hence, redox mediator relithiation restores the lithium content rapidly and at low cost. The redox mechanism relithiate EOL cathode material by shuttling charges very fast between lithium metal and EOL cathode material. The redox mediator is oxidized to create lithium rich solvent and reduced to relithiate EOL cathode material. However, the process is sensitive to pH changes. The redox reaction creates acidic solvent, which may cause lithium leaching. Therefore, use of lithium hydroxide (LiOH) to remove impurities on the surface of the EOL material and as a lithium source creates a basic solution to prevent lithium leaching and relithiate EOL material. This approach will potentially pave way for fast quality cathode material recovery at a low cost.

cathode material↗
DOE OSTI2025

Direct Air Reactive Capture and Conversion for Utility-Scale Energy Storage (Final Report)

This final report for FEW0277 summarizes the work performed over the project performance period of October 2021 – March 2025. This project was funded under the “Reactive Capture and Conversion R&D” lab call released in FY2021. The goal of the project was to develop dual-function materials and process for capturing CO 2 from the atmosphere and converting it into CH 4 . The work was organized into four parallel tracks in 1) direct air capture materials synthesis and characterization, 2) catalysts for CO 2 conversion, 3) mechanistic investigations via ab initio simulations, and 4) process modeling, technoeconomic analysis, and lifecycle assessment. The project was split into two budget periods. The first budget period focused on development of amine-based materials, due to their known performance for CO 2 direct air capture and their potential to act synergistically with metal catalysts to enable a low-temperature methanation pathway. The second budget period focused on development of alkali-based materials and a simulated-moving-bed process for high conversion catalytic reduction of captured CO 2 to CH 4 . All project milestones were completed during the project performance period and are summarized in this report. Our work resulted in publication of eight peer-reviewed manuscripts, one patent application, and numerous presentations given at domestic and international conferences and invited academic department seminars.

03 NATURAL GAS↗
DOE OSTI2024

Photocatalytic water splitting for large-scale solar-to-chemical energy conversion and storage

Sunlight-driven water splitting allows renewable hydrogen to be produced from abundant and environmentally benign water. Large-scale societal implementation of this green fuel production technology within energy generation systems is essential for the establishment of sustainable future societies. Among various technologies, photocatalytic water splitting using particulate semiconductors has attracted increasing attention as a method to produce large amounts of green fuels at low cost. The key to making this technology practical is the development of photocatalysts capable of splitting water with high solar-to-fuel energy conversion efficiency. Furthermore, advances that enable the deployment of water-splitting photocatalysts over large areas are necessary, as is the ability to recover hydrogen safely and efficiently from the produced oxyhydrogen gas. This lead article describes the key discoveries and recent research trends in photosynthesis using particulate semiconductors and photocatalyst sheets for overall water splitting, via one-step excitation and two-step excitation (Z-scheme reactions), as well as for direct conversion of carbon dioxide into renewable fuels using water as an electron donor. We describe the latest advances in solar water-splitting and carbon dioxide reduction systems and pathways to improve their future performance, together with challenges and solutions in their practical application and scalability, including the fixation of particulate photocatalysts, hydrogen recovery, safety design of reactor systems, and approaches to separately generate hydrogen and oxygen from water.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

sCO2 Research at NREL

This panel presentation gives a brief overview of and links to NREL's recent research related to sCO2 cycles. This includes PTES, PTES with CSP, Gen3 Gas, Gen3 Liquid, cycle design-point modeling, and cycle off-design modeling.

concentrating solar power↗
DOE OSTI2022

Quantifying Heterogeneities: Degradation During Fast Charge

This presentation investigates limitations in extreme fast charging due to local heterogeneities. This work covers research done by one of six thrusts within the large DOE fast charging program. Length scales investigated span from cm to microns. Novel techniques used include higher energy XRD, in-situ tomography, neutron tomography, and in-situ AFM. The team has compared local SOC heterogeneity at mm length scale with microstructure mapping and not found a strong correlation. Presentation outlines future work needed to understand underlying cause of observed heterogeneity.

degradation↗
DOE OSTI2022

Modelling and Experimental Validation of Improved Performance of Lithium-Ion Batteries Having Thick Electrodes with Laser-Ablated Micro-Structures

For widespread adoption of electric vehicles, lithium-ion batteries (LiBs) need to achieve energy densities of >275 Wh/kg, cost less than $100/Wh, and charge to more than 80% capacity within 15 minutes. Increasing the battery electrode thicknesses is one way to increase cell energy densities while also saving on cell manufacturing cost by increasing the ratio of electrode active material to inactive material within each cell. However, increased electrode loading is often accompanied by decreased Li+-ion diffusion across the full thick electrodes. This leads to significant cell polarization that prevents full capacity utilization and accelerates cell degradation, especially at fast charging/discharging rates. The introduction of secondary pore networks in thick battery electrodes alleviates some of the trade-offs between energy and power performance. These microstructures provide low tortuosity pathways for facile Li+-ion diffusion deep into the thick electrodes, diminishing detrimental concentration gradients within the cell. Ultrafast-pulsed laser ablation is a promising method to introduce micro pores or channels in thick battery electrodes as it allows for precise control of pattern geometries, results in minimal damage to the electrode and can be introduced into existing roll-to-roll electrode manufacturing lines. Herein, the limitations of thick planer electrodes and the advanced predictive models to identify optimal electrode patterns for improved cycling performance will be presented. The impact of electrode laser patterning to create secondary pore networks also will be discussed. Materials characterization techniques (SEM-EDS, XRD) were used to explore the affect ultrafast laser ablation had on the electrode materials’ morphology and structure. The improvements in the patterned electrodes’ electrochemical cycling performances and degrees of wetting will be compared to a pristine baseline case. Finally, the discrepancies between experimentally obtained data and model predictions will be explained.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗
DOE OSTI2023

A04-0491 - Reduced Electrolyte Reactivity of Pitch-Carbon Coated Si Nanoparticles for Li-Ion Battery Anodes

Silicon-based anodes for Li-ion batteries (LIB) have the potential to increase the energy density over graphite-based LIB anodes. However, silicon anodes exhibit poor cycle and calendar lifetimes due to mechanical instabilities and high chemical reactivity with the carbonate-based electrolytes that are typically used in LIBs. In this work, we synthesize a pitch-carbon coated silicon nanoparticle composite active material for LIB anodes that exhibits reduced chemical reactivity with the carbonate electrolyte compared to an uncoated silicon anode. Silicon primary particle sizes <10 nm minimize micro-scale mechanical degradation of the anode composite, while conformal coatings of pitch-carbon minimized the parasitic reactions between the silicon and the electrolyte. When matched with a high voltage NMC622 cathode, the pitch-carbon coated Si anode retains -75% of its initial capacity over 1000 cycles. Efforts to increase the areal loading of the pitch-carbon coated silicon anodes to realize real energy density improvements over graphite anodes results in severe mechanical degradation on the electrode level. Developing procedures to engineer the architecture of the composite silicon anode may be a solution to this mechanical challenge.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗
DOE OSTI2023

Gas-Phase Composition as a Predictive Metric for Calendar Life Behavior of Next-Generation Silicon Anodes

The expansion of renewable technologies and electrification of the transportation sector is driving increased demand for next-generation battery materials that provide higher power and energy density with superior cycling and calendar life stability. Silicon (Si) has a theoretical capacity nearly 10x that of graphite, and is therefore a promising anode material candidate to meet these rigorous performance demands. While leading Si anode battery demonstrations are approaching target metrics for cycle life, a series of complex and interrelated modes of reactivity lead to reduced calendar life and therefore challenge practical adoption of these materials. Deconvoluting the degradation processes that impact Si calendar life is critical to informing the rational and accelerated design of improved Si materials. In the present work, we employ novel sampling techniques and GC-MS-FID characterization to measure gas-phase composition during initial Si cycling, which we tie to selective mechanisms of Si passivation. We utilize a tiered analysis approach to identify and quantify the gas-phase reaction products associated with three advanced Si material candidates under practical operating conditions. Ex situ analysis of Si powders (pure chemical reactivity) is coupled with nondestructive in situ sampling of Si electrodes in a practical pouch-cell format (coupled chemical and electrochemical reactivity). We link the observed gas-phase species evolution to electrochemical behavior and measured calendar life of the three Si materials. Further, we evaluate the voltage-resolved evolution of gas-phase species for one such Si nanomaterial, where nonmonotonic gas generation implies competition between passivating reaction pathways. The measured gas-phase compositional data serves as a critical input for our advanced electrochemical SEI models to identify favorable vs unfavorable reaction pathways to stabilize Si. In addition to bolstering a fundamental understanding of Si reactivity, the present approach informs specific and quantifiable gas-phase metrics tied to calendar life improvements in Si, which can streamline and accelerate the process of next-generation material development.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗
DOE OSTI2024

Ad-Mat: Adaptations of Mature Manufacturing Strategies for Accelerated Redox Flow Battery Deployment

The concept of the Ad-Mat approach is to leverage existing adjacent markets across a broad scope of technologies in order to reduce the manufacturing learning curve and ultimately accelerate redox flow battery (RFB) deployment at scale. Lithium-ion batteries (LIBs) are currently the dominant energy storage technology, and they came to technological maturity under unique market conditions when there was no meaningful competition in the consumer electronic and electric vehicle (EV) space. Today, alternative chemistries that may be technologically better-suited for long-duration storage applications are experiencing a high barrier to entry. This is in large part due to the substantial bias towards the scaled-up production and supply chain that now exists for LIBs. In the case of RFBs in particular, numerous analyses have suggested that RFBs should theoretically have a much lower system cost than LIBs - however, this relies on a mature and competitive manufacturing landscape, which has been extremely challenging to achieve for both flow batteries and other LIB competitors. At the moment, LIB alternatives tend to have isolated small-scale manufacturing pathways, which preclude the economies of scale that would be required to compete with the mature LIB industry. In the present state of the industry, niche manufacturing tools and approaches have evolved to support each alternative technology, such that there is substantial replication and duplication in effort. Continuing to pursue a strategy of isolated manufacturing processes/approaches for each LIB-alternative may never allow for at-scale deployment. In order for RFBs to meaningfully compete with LIBs in the realm of LDES, a new disruptive approach based on cross-industry learning and coordination is needed - and this is exactly what our Ad-Mat concept aims to tackle. In this re-envisioned manufacturing landscape, tools and processes from mature industries can be adapted and deployed across the range of alternative energy storage technologies. Adapting tools, equipment, processes, and industrial learning from mature industries to meet the technological requirements of RFBs would open new markets for existing OEMs in adjacent industries, would prevent unnecessary duplication and re-development, would improve efficiency across the manufacturing chain, and would ultimately support reduced costs and accelerated deployment of RFBs at scale.

adaptive manufacturing↗
DOE OSTI2024

Thermodynamic Limits of Redox-Based Thermochemical Processes (REDOTHERM)

Solar thermochemical fuel production is a potential pathway for the production of sustain liquid drop-in fuels, which can help decarbonize the aviation and maritime sectors. In an attempt to analyze the commercial viability of this technology, several studies have been conducted, including system and technoeconomic analysis (TEA) modeling. However, most studies to date simply assume a given redox reactor efficiency, which is significantly higher than demonstrated values to date. While it is widely recognized that utilizing a counter-current flow (CF) configuration could increase the redox reactor efficiency, an over-simplification in the thermodynamic modeling may lead to unphysical results which has been included in multiple publications. The fact that the solar redox reactor is the least developed component in the process chain makes it hard to identify technology gaps and evaluate pathways to deployment at scale using this approach. In this work, a thermodynamic model for a moving oxide system has been developed, in a general form that allows to analyze the system for different redox-active materials, under a wide range of operating conditions, for both parallel and countercurrent flows. The model capabilites are demonstrated, and the model's code will be shared as an open-source on GitHub in the next few months.

chemical looping↗