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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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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Integrated multimodel analysis reveals achievable pathways toward reliable, 100% renewable electricity for Los Angeles

Climate change has prompted many communities to set targets for carbon-free power supplies, but they often lack data-driven strategies to achieve them. We present a comprehensive analysis of an entirely renewable electric power system that can maintain operating reliability and resource adequacy using detailed models of the city of Los Angeles power grid. In consultation with the operating utility, the Los Angeles Department of Water and Power (LADWP), and the local community, we develop four supply scenarios across three demand projections to analyze which types of infrastructure and operational changes would achieve reliable electricity at least cost. We find that a reliable, 100%-renewable power system yielding more than $1 billion annually in health and climate co-benefits is achievable. Solar can supply most future energy needs, while combustion turbines that use renewable, storable carbon-neutral fuels are key to maintaining reliability. This study provides a replicable methodology that other jurisdictions globally can follow.

14 SOLAR ENERGY↗
DOE OSTI2024

Performance and Emissions of an SI Engine Fueled With DME-Propane Blends

Dimethyl Ether (DME) is an alternative fuel that can be produced renewably and has the potential for lower CO and NOx emissions than conventional petroleum-based fuels. Blending DME with another gaseous fuel such as propane, which has a lower knock tendency than gasoline, can allow this fuel to be leveraged on SI engines. In this study, the use of DME-propane blends on a spark ignition (SI) engine was studied via computer simulations in order to understand the impact on engine performance and emissions and to identify the knock limitations of using such fuel blends. A 2L Hyundai SI engine was modeled in GT Power and the model was validated by comparing it with computational fluid dynamics (CFD) simulation results. Starting from pure propane, DME was added incrementally until knock was observed in the engine. Results indicate that it is feasible to run propane with DME percentages up to 35% before severe knock impacts were observed. The BTE was higher, but the BSFC also increased for DME-propane blends as compared to gasoline. Here, an increase in NOx emissions was detected along with a significant decrease in CO emissions. CO 2 emissions declined for propane as compared to gasoline but increased with the addition of DME.

alternative fuels↗
DOE OSTI2022

Techno-Economic Evaluation of Strategies to Approach Net-Zero Carbon Sustainable Aviation Fuel via Woody Biomass Gasification and Fischer-Tropsch Synthesis

Reducing the carbon dioxide (CO2) emissions from the transportation industry is a key target for achieving global net-zero carbon goals. Wide-spread electrification, efficient engine design, and alternative fuel implementations have been introduced for light-duty vehicles and are projected to significantly reduce light-duty emissions in the near future. Conversely, the aviation sector contributes considerably towards transportation-based carbon emissions, but current projections do not show substantial reductions in carbon emissions over time. Challenges for the aviation sector include low compatibility with electrification, relative inflexibility to variations in fuel properties, and requirement of high energy density fuels. Thus, identifying pathways to decarbonize the aviation sector via liquid low- or net-zero carbon biofuels that are compatible with current aviation infrastructure is crucial. This work investigates the economic feasibility of approaching net-zero carbon sustainable aviation fuel (SAF) from woody biomass via gasification and Fischer-Tropsch synthesis. In doing so, this assessment identifies the economic opportunities and trade-offs of several carbon mitigation strategies coupled with renewable resource interventions required to approach net-zero carbon fuels via biomass. Renewable natural gas and green hydrogen utilization strategies are assessed to examine the impact of fuel yield improvements versus renewable resource cost. Additionally, both carbon capture and sequestration (CCS) and carbon capture and utilization (CCU) are considered in this analysis to help mitigate carbon loss to the atmosphere. Each scenario was assessed on cost, carbon efficiency, energy efficiency, and overall technology-readiness level (TRL). The results of this analysis show that renewable natural gas, green hydrogen, and CCS can be viewed as a low-cost, near-term carbon abatement strategies. However, in the long-term, deployment of more expensive and less technologically mature CCU technologies can make use of point sources of CO2 to boost overall fuel production.

aviation fuel↗
DOE OSTI2021

Single-column cryogenic air separation: Enabling efficient oxygen production with rapid startup and low capital costs—application to low-carbon fossil-fuel plants

The rapid integration of intermittent renewable sources into the electricity grid is driving the need for more flexible, low-carbon fossil-fuel plants with lower capital costs. This then drives the need to improve the cryogenic air separation unit (ASU). To address this changing landscape, we explore a Praxair single-column ASU (PSC-ASU) design with the goal of reducing costs and improving flexibility, compared to a conventional double-column ASU. The PSC-ASU incorporates partial air condensation and air pre-separation in the bottom reboiler with a phase separator as well as N 2 -enriched vapor condensation in the upper reboiler to decrease energy consumption, as compared to Linde’s single-column ASU. All three of the above-mentioned ASU designs are simulated in Aspen Plus and analyzed. An economic analysis is applied to evaluate the relative cost savings of the PSC-ASU compared to the double-column ASU. Results suggest that the specific energy consumption of the PSC-ASU is significantly lower than that of Linde’s single-column ASU due to a drastically improved oxygen recovery rate. Although this improved oxygen recovery rate is still lower than that of the double-column ASU, the required pressure ratio of the main air compressor is 21% lower than that of the double-column ASU. As a result, the specific energy consumption of the PSC-ASU is only 1.9% greater than that of the double-column ASU for producing 95.1 mol% O 2 . However, the PSC-ASU reduces the hourly capital cost by 19% due to the elimination of a high-pressure column. This would effectively decrease the total hourly cost of the ASU, and thus the total hourly cost of low-carbon, fossil-fuel power plants that require oxygen.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Single-column cryogenic air separation: enabling efficient oxygen production with rapid startup and low capital costs—application to low-carbon fossil-fuel plants

The rapid integration of intermittent renewable sources into the electricity grid is driving the need for more flexible, low-carbon fossil-fuel plants with lower capital costs. This then drives the need to improve the cryogenic air separation unit (ASU). To address this changing landscape, we explore a Praxair single-column ASU (PSC-ASU) design with the goal of reducing costs and improving flexibility, compared to a conventional double-column ASU. The PSC-ASU incorporates partial air condensation and air pre-separation in the bottom reboiler with a phase separator as well as N2-enriched vapor condensation in the upper reboiler to decrease energy consumption, as compared to Linde's single-column ASU. All three of the above-mentioned ASU designs are simulated in Aspen Plus and analyzed. An economic analysis is applied to evaluate the relative cost savings of the PSC-ASU compared to the double-column ASU. Results suggest that the specific energy consumption of the PSC-ASU is significantly lower than that of Linde's single-column ASU due to a drastically improved oxygen recovery rate. Although this improved oxygen recovery rate is still lower than that of the double-column ASU, the required pressure ratio of the main air compressor is 21% lower than that of the double-column ASU. As a result, the specific energy consumption of the PSC-ASU is only 1.9% greater than that of the double-column ASU for producing 95.1 mol% O2. However, the PSC-ASU reduces the hourly capital cost by 19% due to the elimination of a high-pressure column. This would effectively decrease the total hourly cost of the ASU, and thus the total hourly cost of low-carbon, fossil-fuel power plants that require oxygen.

Cheng, Mao↗
DOE OSTI2023

(Invited) Utilization of Bio-CO 2 and Bio-Methane for Fuel Production: Integration Solid Oxide Electrolyzer, Low Energy Plasma Reformer with Fischer-Tropsch Synthesis

Transition to renewable energy is essential to achieve climate protection objectives. Besides storing electricity for later use, fuel production using renewable energy is an essential part of reducing fossil dependance. The highest value application in current markets is the production of liquid transportation fuels such as sustainable aviation fuels (SAF) from sustainable, ideally biogenic carbon resources. A system is presented for processing anaerobic digester gas for liquid hydrocarbon production. Bio-CO 2 is processed through a solid oxide electrolysis cell and bio-CH 4 through a low energy plasma reformer. The combined synthesis gas is supplied to a Fischer-Tropsch reactor for the production of liquid hydrocarbons. The combination of technologies nearly doubles the yield of biofuel by utilizing the bio-CO 2 in addition to the bio-CH 4 . Here, the product fuel is all bio-carbon but it also embodies renewable electric energy in a high-value, storable and transportable liquid hydrocarbon.

09 BIOMASS FUELS↗
DOE OSTI2023

Ducted Fuel Injection Provides Consistently Lower Soot Emissions in Sweep to Full-Load Conditions

Earlier studies have proven how ducted fuel injection (DFI) substantially reduces soot for low- and mid-load conditions in heavy-duty engines, without significant adverse effects on other emissions. Nevertheless, no comprehensive DFI study exists showing soot reductions at high- and full-load conditions. This study investigated DFI in a single-cylinder, 1.7-L, optical engine from low- to full-load conditions with a low-net-carbon fuel consisting of 80% renewable diesel and 20% biodiesel. Over the tested load range, DFI reduced engine-out soot by 38.1–63.1% compared to conventional diesel combustion (CDC). This soot reduction occurred without significant detrimental effects on other emission types. Thus, DFI reduced the severity of the soot–NO x tradeoff at all tested conditions. While DFI delivered considerable soot reductions in thepresent study, previous DFI studies at low- and mid-load conditions delivered larger soot reductions (>90%) compared to CDC operation at the same conditions. Therefore, the DFI configuration used here has been deemed nonoptimal (in terms of parameters such as the injector-spray and piston geometries), and several improvements are recommended for future studies with high-load DFI. Further, these improvements include employing better spray-duct alignment, a deeper piston bowl with a smaller injector umbrella angle, and a fuel injector that opens and closes faster. The study also suggests future research to make DFI ready for commercialization, such as metal-engine tests to ensure desirable DFI performance over an engine’s complete speed/load map. Overall, this study supports the continued development and commercialization of DFI to meet upcoming emissions regulations for heavy-duty vehicles. Specifically, multicylinder engine experiments and CFD simulations should be utilized to optimize the performance and clarify the full potential of DFI.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Data for Development of Vegetative Oil Sorghum: From Lab-to-Field

Biomass crops engineered to accumulate energy-dense triacylglycerols (TAG or ‘vegetable oils’) in their vegetative tissues have emerged as potential feedstocks to meet the growing demand for renewable diesel and sustainable aviation fuel (SAF). Unlike oil palm and oilseed crops, the current commercial sources of TAG, vegetative tissues, such as leaves and stems, only transiently accumulate TAG. In this report, we used grain (Texas430 or TX430) and sugar-accumulating ‘sweet’ (Ramada) genotypes of sorghum, a high-yielding, environmentally resilient biomass crop, to accumulate TAG in leaves and stems. We initially tested several gene combinations for a ‘push-pull-protect’ strategy. The top TAG-yielding constructs contained five oil transgenes for a sorghum WRINKLED1 transcription factor (‘push’), a Cuphea viscosissima diacylglycerol acyltransferase (DGAT; ‘pull’), a modified sesame oleosin (‘protect’) and two combinations of specialized Cuphea lysophosphatidic acid acyltransferases and medium-chain acyl-acyl carrier protein thioesterases. Though intended to generate oils with medium-chain fatty acids, engineered lines accumulated oleic acid-rich oil to amounts of up to 2.5% DW in leaves and 2.0% DW in stems in the greenhouse, 36-fold and 49-fold increases relative to wild-type (WT) plants, respectively. Under field conditions, the top-performing event accumulated TAG to amount to 5.5% DW in leaves and 3.5% DW in stems, 78-fold and 58-fold increases, respectively, relative to WT TX430. Transcriptomic and fluxomic analyses revealed potential bottlenecks for increased TAG accumulation. Overall, our studies highlight the utility of a lab-to-field pipeline coupled with systems biology studies to deliver high vegetative oil sorghum for SAF and renewable diesel production.

Biofuels↗
DOE OSTI2020

Optimizing an Integrated Renewable-Electrolysis System

Hydrogen is a versatile energy carrier that is used in a wide variety of chemical and industrial processes. Producing hydrogen using electrolysis can enable integration of multiple sectors including electricity, heating, and industrial sectors; however, the cost of producing hydrogen from electrolysis remains a challenge for encouraging greater adoption. With growing amounts of renewable generation on the California grid, there is downward pressure on wholesale electricity prices, particularly during the afternoon from photovoltaics (PV). These lower, or even potentially negative prices, challenge the business cases for new and existing PV plants. In addition, as the grid transitions to less flexible generation, there is greater need for system flexibility. To help improve the economics for both solar PV and hydrogen production using electrolyzers, we explore the benefit of combining PV and electrolysis systems. The optimal breakeven hydrogen production cost for six unique market participation configurations is calculated at six candidate locations where PV is already installed. The six market configurations include islanded, separated, retail, net energy metering (NEM), hybrid retail/wholesale and wholesale. Using the Revenue Operation and Device Optimization Model (RODeO) model, the optimal breakeven hydrogen price over the lifetime of the equipment is calculated. The cost includes production, storage, and compression in preparation for gaseous delivery trucks. Revenue streams include the sale of hydrogen, low carbon fuel standard (LCFS) credits, renewable electricity sold to the grid, and Renewable Energy Credits (REC). The costs included are the electricity costs, capital and fixed operation and maintenance cost (FOM) for the electrolyzer, PV, and storage and compression systems as well as taxes and financing costs. In addition, cost reductions are achieved through retail and wholesale rate optimization, by which electricity is purchased at the lowest price and sold, if possible, at the highest price. For all locations, the breakeven hydrogen production cost results show that, in the order of decreasing cost, the system configurations are islanded (highest), separated, NEM, retail, hybrid retail/wholesale, and wholesale (lowest). The resulting system design balances between the capital and maintenance cost components, the operation costs (i.e., electricity costs) and the additional market revenues. The integration of solar PV and electrolysis is shown to provide a mutually beneficial relationship. For PV, integration with electrolysis offers the potential to hedge against wholesale market price volatility, and integration with electrolysis may offer the potential to defer or avoid transmission investment to deliver power to the point-of-use and instead use it on-site. When compared with SMR without considering any renewable hydrogen premiums, this study finds that PV + Electrolysis systems with current costs are likely not competitive; however, with cost reductions for electrolysis equipment consistent with DOE projections, it was found that systems with wholesale market access would be competitive, largely on account of both low capital costs and low-cost electricity. The electrolysis units can provide greater flexibility than is required based on retail rate optimization, so there is an opportunity for a utility or CAISO to increase system flexibility with PV + Electrolysis systems in return for commensurate compensation. In this way, there are potentially several solutions that fall between the hybrid configuration and the wholesale configuration that could provide sufficient compensation for a PV + Electrolysis unit to compete with SMR while also providing greater flexibility to the grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Thermal energy grid storage: Liquid containment and pumping above 2000 °C

As the cost of renewable energy falls below fossil fuels, the key barrier to widespread sustainable electricity has become availability on demand. Energy storage can enable dispatchable renewables, but only with drastic cost reductions compared to current battery technologies. One electricity storage concept that could enable these cost reductions stores electricity as sensible heat in an extremely hot liquid (>2000°C) and uses multi-junction photovoltaics (MPV) as a heat engine to convert it back to electricity on demand hours, or days, later. Furthermore, this paper reports the first containment of silicon in a multipart graphite tank above 2000°C, using material grades that are affordable for energy storage at GWh scales. Low cost molded graphite with particle sizes as large as 10 μm successfully contained metallurgical grade silicon, even with as much as twothirds iron by mass for up to 10 hours and temperatures as high as 2300°C, in tanks as large as two gallons.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

High-temperature Pumping of Silicon for Thermal Energy Grid Storage

As the cost of renewable energy falls below fossil fuels, the key barrier to widespread sustainable electricity has become availability on demand. Energy storage can enable dispatchable renewables, but only with drastic cost reductions compared to current batteries. One electricity storage concept that could enable these cost reductions stores electricity as sensible heat in an extremely hot liquid (>2000 °C) and uses multi-junction photovoltaics (MPV) as a heat engine to convert it back to electricity on demand, hours or days later. This paper follows previously reported technoeconomics and liquid containment, examining equipment that would be needed to exchange heat between resistive heaters, a molten silicon storage tank above 2000 °C, and a heat engine. Herein, we report on a pump that was designed and tested to circulate the liquid silicon between these three regions and the effect of spatial thermal cycling was simulated in models and experiments. While the pump successfully circulated silicon between 1800-2080 °C for ten hours, circulation with a temperature gradient caused it and other non-isothermal experiments to dissolve significantly due to the temperature dependent solubility of not only carbon, but also silicon carbide which otherwise protected the graphite infrastructure. Furthermore, methods to reduce dissolution and an alternative embodiment are presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Can Multiple Ions in an Ionic Liquid Improve the Biomass Pretreatment Efficacy?

we report over the last few decades, efforts to transition the global production of fuels and chemicals toward renewable carbon feedstocks have accelerated. A large portion of these efforts have focused on valorization of one of the most abundant renewable carbon sources, lignocellulose. Pretreatment of lignocellulose is the first critical step in this process. In this study, novel ionic liquid (IL) systems consisting of multiple ions known to be effective at biomass pretreatment were tested on woody and grassy biomass. Molecular simulations and experimental results established the synergistic advantages of combining specific individual components in these systems. For pine (woody) biomass, pretreatment with the combination of imidazolium, cholinium, acetate, and lysinate ions achieved 80% glucose and 70% xylose yields at high biomass loading. For sorghum biomass, an IL system comprising cholinium, lysinate, and palmitate ions not only enabled a 98% glucose yield but was also found to be biocompatible in a one-pot configuration, producing the biofuel precursor bisabolene using an engineered strain of the yeast Rhodosporidium toruloides.

09 BIOMASS FUELS↗
DOE OSTI2024

2023 Billion-Ton Report: An Assessment of U.S. Renewable Carbon Resources - Microalgae

Microalgae is a unique biomass resource that does not need to compete for land and water with other biomass feedstocks because it can be cultivated on low-quality unencumbered land using noncompetitive water types including saline and wastewater. It is included as a complementary resource alongside other biomass feedstocks reported in this study, albeit at higher biomass production costs reflective of more capital-intensive farming operations than typical for terrestrial biomass. Higher biomass costs can be offset by the potential to produce value-added coproducts unique to compositional constituents of microalgae. Relative to the 2016 Billion-Ton Report, this chapter reflects the latest analysis from the 2022 Algae Harmonization Update, which uses the latest parameterized and high-performing saline algal strain, second-generation carbon capture of point-source waste CO 2 , and high-pressure pipeline transport resolved to specific point-source types, saline water sourcing up to 40,000 mg/L total dissolved solids for source and makeup water salinity, blowdown water treatment and recycle, and brine disposal handling. National-scale algal biomass availability potential was calculated at 152 million tons/yr ash-free dry weight (AFDW) (191 million tons/yr dry weight) at an average biomass

09 BIOMASS FUELS↗
DOE OSTI2024

Achieving an 80% Renewable Portfolio in Alaska's Railbelt: Cost Analysis

This study examines the system-level costs and benefits of increased renewable energy deployment in the Railbelt grid, in the context of a proposed 80% renewable portfolio standard (RPS). This work studies the period from 2024 to 2040 and uses a model that simulates the planning, evolution, and operation of the power system to identify the mix of resources that maintains system reliability at the lowest electricity system cost over the period of analysis. The model tracks several reliability metrics, including the ability to serve demand during all hours of the year, even when normal power system failures occur. The model includes several measures (and associated costs) to address the variable output of renewable resources, including additional operating reserves, fuel storage, cycling of fossil plants, and additional equipment needed to maintain system stability. The Reference (least-cost) scenario results in substantial deployment of renewable energy and cost savings, reaching about 76% of Railbelt generation derived from renewables in 2040. Annual savings average about $105 M/year from 2030 to 2040. About 50% of this generation is from wind by 2040. Enforcing an 80% RPS results in about a 2% cumulative reduction in net savings. Demand is met in all scenarios, relying heavily on use of existing hydropower and fossil-fueled generators during periods of low renewable output. Meeting the increase in variability will require substantial changes in how the system is operated, with inverter-based resources providing nearly 100% of electricity during some periods.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Progress and roadmap for electro-privileged transformations of bio-derived molecules

Biomass incorporates carbon captured from the atmosphere and can serve as a renewable feedstock for producing valuable chemicals and fuels. Here we look at how electrochemical approaches can impact biomass valorization, focusing on identifying chemical transformations that leverage renewable electricity and feedstocks to produce valorized products via electro-privileged transformations. First, we recommend that the field should explore widening the spectrum of platform chemicals derived from bio-feedstocks, thus offering pathways to molecules that have historically been derived from petroleum. Second, we identify opportunities in electrocatalytic production of energy-dense fuels from biomass that utilize water as the hydrogen source and renewable electricity as the driving force. Finally, we look at the potential in electrochemical depolymerization to preserve key functional groups in raw feedstocks that would otherwise be lost during harsh pre-treatments in traditional depolymerization routes. Finally, on the basis of these priorities, we suggest a roadmap for the integration of biomass and electrochemistry and offer milestones required to tap further into the potential of electrochemical biomass valorization.

electrocatalysis↗
DOE OSTI2023

Cell Free and Immobilization Technologies (CFIT)

Today, several key factors negatively impact the production of fuels and chemicals from renewable sources. Common hindrances in the biological production of biochemicals are: (1) end-product or intermediate toxicity to the microbial biocatalyst, (2) the diversion of carbon to biomass formation, and (3) co-production of undesired byproducts. A particularly attractive alternative is to eliminate the biocatalyst entirely and instead operate the desired metabolic pathways in isolation, thus circumventing the roadblocks of biological toxicity, lower yields, and lack of specificity. However, cell-free enzyme systems still suffer from low productivities owing in part to the effects of free diffusion of intermediates, lack of long term enzyme stability, cofactor cost or inefficient recycling rates, and finally, the cost of enzyme production/purification. This project represents a new effort to propose innovative and cost competitive routes to producing biochemicals from a variety of feedstocks using cell free approaches. These routes will help reduce the current risk and cost associated with classical cell free production. Cell free technologies show promise for application to the production of toxic/inhibitory products or products difficult to separate from microbial growth media and can help reduce the production barriers in multiple areas of biological conversion of feedstocks to biochemicals. More specifically, we are developing new technologies and routes that could be used to produce high value biochemicals such as 2,3 BDO and terpenes (among many others) from biomass derived C5/C6 sugars or lignin but also from waste byproducts such as glycerol. This project will lead to significant innovation and also lead to new concepts and rational design of pathways and enzymes. Within this project, we will develop new metabolic enzyme cascades that will represent natural or artificial combinations of enzymes to produce the desired biochemicals from a variety of feedstocks. We are also developing basic design principals for constructing synthetic metabolons, using fusion proteins and synthetic protein scaffolds, to promote substrate channeling and stability while conserving peak activity. Additionally, our efforts include a techno economic analysis (TEA) of cell free approaches to provide the sensitivities of the process to enzyme loading, activity, pH, reactor volumes, cofactor recycling rates. Finally, we are focusing on further increasing stability, operating lifetime and efficiency of the pathway enzymes by immobilization on support surfaces. We are also focus on immobilizing pathway enzymes or combinations of enzymes on several different conducting polymers and evaluate the effect on stability and operating lifetime. As more combinations become available we will conduct a more systematic study of the means of immobilizing these enzymes. This preliminary work will enable the in-depth study of cofactor recycling at these interfaces using mediators for electron transfer. Taken together, these approaches will enable process intensification, continuous operation, lower capital and separations costs and end-product flexibility, and thus has the potential to contribute significantly to BETO's goals of cost competitive biofuels and bioproducts. To date we have demonstrated 1) the conversion of pyruvate to 2,3 BDO (4 enzymes with cofactor recycling, no additional cofactors needed) at >100g/L (>3g/L/h) using our enzyme tethering approach, 2) Generated mutants of a key redox enzyme with >180- fold improvement in NADH utilization over WT to >85% of NADPH utilization. 3) Produced mevalonate at >10g/L from glucose, limonene at >10g/L from mevalonate and more than >5g/L from glucose with crude enzyme preparations and complete cofactor recycling. 4) successfully generated fully active cross-linked aggregates (CLEAs) of NOX, a cofactor-regenerating water-forming oxidase that is key to our process with increased stability 5) Engineered and identified enzymes able to use the biomimetic cofactor NMN and synthesized new synthetic cofactors.

biocatalysis↗
DOE OSTI2023

Novel Structural Motif To Promote Mg-Ion Mobility: Investigating ABO 4 Zircons as Magnesium Intercalation Cathodes

There is an increasing need for sustainable energy storage solutions as fossil fuels are replaced by renewable energy sources. Multivalent batteries, specifically Mg batteries, are one energy storage technology that researchers continue to develop with hopes to surpass the performance of Li-ion batteries. However, the limited energy density and transport properties of Mg cathodes remain critical challenges preventing the realization of high-performance multivalent batteries. In this work, ABO 4 zircon materials (A = Y, Eu and B = V, Cr) are computationally and experimentally evaluated as Mg intercalation cathodes. Remarkably good Mg-ion transport properties were predicted and Mg-ion intercalation was experimentally verified in sol-gel synthesized zircon YVO 4 , EuVO 4 , and EuCrO 4 . Among them, EuVO 4 exhibited the best electrochemical performance and demonstrated repeated reversible cycling. While we believe that the one-dimensional diffusion channels and redox-active species tetragonal coordination limit the value of many zircons as high-performance cathodes, their unique structural motif of overlapping polyhedra along the diffusion pathway appears instrumental for promoting good Mg-ion mobility. The motif results in a favorable "6-5-4" change in coordination that avoids unfavorable sites with lower coordination along the diffusion pathway and a structural design metric for future Mg cathode development.

25 ENERGY STORAGE↗