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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Safe, Low-Cost, High Energy-Density, Solid-State Li-Ion Batteries

We developed intrinsically safe, robust, low-cost, high-energy-density solid-state Li-ion batteries, by integrating high conductivity garnet-type solid Li ion electrolytes and several different cathodes in tailored microstructures, fabricated by low-cost supported thin-film ceramic techniques, to overcome the primary technological barriers to next generation battery technology. In this ARPA-E project we employed Li-garnet solid-state electrolytes pioneered by one of the co-investigators (Thangadurai) which has room temperature (RT) conductivity of ~10 -3 S cm -1 . The highly stable garnet SSE allowed the use of S, NMC, and other cathodes with Li metal anodes without stability or flammability concerns. We studied the garnet’s stability when exposed to CO 2 and humidity (with or without an ALD coating) and showed that the material can be processed in ambient air for most steps prior to battery assembly, significantly reducing production costs. We extensively studied and scaled up the synthesis of the powder and explored external suppliers of garnet to determine the best pathway for commercial success. We used low-cost and scalable tapecasting fabrication methods to create porous-dense-porous “trilayer” solid electrolyte microstructures with a ~20 μm separating dense layer, and >70% porosity porous layers to host the electrodes. These scalable multilayer ceramic fabrication techniques, without need for dry rooms or vacuum equipment, also provide for dramatically reduced manufacturing costs. The tailored microstructured electrode supports (scaffold) increased interfacial area ~50x, overcoming the high impedance typical of planar geometry SSLiBs, resulting in record-setting 10 mA/cm 2 lithium cycling in a symmetric cell. We expanded our tapecasting ability and showed tapes >25m in length by the end of the project. We demonstrated the ability to sinter garnet without the use of a garnet powderbed, which could have been a major obstacle and waste of material at scale. At the same time, we expanded the size of our trilayers from coin cells (0.7 cm 2 ) to the full format design (30 cm 2 ). To develop full cells, we demonstrated 250 Wh/kg at room temperature with commercial NMC electrode films in a bilayer configuration. Similarly, we demonstrated 280 Wh/kg trilayer Li-S cells at room temperature with >90% capacity retention over 300 cycles. At 90°C we demonstrated 350 Wh/kg with a Li-S trilayer. The high thermal stability of the garnet electrolyte also enabled extended cycling (400 cycles) of a Li-TiS 2 cell at 150 °C, showcasing the exceptional safety and nonflammability of the solid-state trilayer batteries. Ion Storage Systems has taken this technology and knowledge to produce trilayer garnet electrolytes and is building out facilities to commercialize high performance solid state batteries. ISS has hired a strong staff, identified and communicated with a large number of potential partners, and successfully secured follow-on funding.

25 ENERGY STORAGE↗
DOE OSTI2020

Atomically Precise Membranes for the Separation of Gases

Industrial separations require enormous amounts of energy, accounting for approximately half the industrial energy use and 10–15% of the total energy consumption. Distillation alone accounts for about half the energy demand for industrial separations. If these processes could be replaced by an energy-efficient membrane separation process, this energy demand could be reduced by 90%. However, although some membrane processes have made inroads into thermal distillation, for membrane-based separations to replace the distillation process to a far more significant and practical level, new membranes with higher robustness, selectivity, and flux still need be developed. In this membrane development program, we leveraged Temple University’s prior work in spiroligomers to develop robust membrane structures. These structures can be formed into atomically precise pores by controlling the chemical synthesis and the oligomer building blocks to first build precisely controlled macrocycles and then subsequently crosslinking these macrocycles to produce a membrane. Furthermore, through the highly controllable chemistry of our molecular building blocks, not only can we integrate pores with highly controllable and reproducible size and morphology, but we can also target internal functionalization. By using a range of scalable membrane synthesis approaches, combined with control of each and every pores internal chemistry and molecular conformation we can achieve membrane structures that can display the ultimate in high selectivity and permeance. The Mainstream-Temple University membranes can be designed to achieve ultra-selective separations based on the key factors of molecular size, shape, and functionality. In our approach to fabricate scalable atomically precise membranes, we used our molecular Lego nanostructures. We demonstrated an approach to create atomically precise pores within the membrane with pores that are the dimensions of the molecule we are trying to separate. Moreover, in addition to controlling the morphology of the membrane structure by controlling the size of every pore, we can also decorate every pore with precisely targeted and placed functional groups. These accurately placed functional groups can provide selective binding to molecules and provide enhanced selectivity via a facilitated transport mechanism. In Phase II, the Mainstream-Temple University team demonstrated the scalable synthesis of oligomers and the ability to control the pore internal and external functionality, or chemistry, to allow the fabrication of a thin-film membrane. The initial steps of the spiroligomer synthesis to produce the two key bis-amino enantiomer building blocks were scaled from the gram scale to the kilogram scale, obtaining 25 kg of the materials by transferring the procedure to a toll manufacturer. Finally, we successfully optimized the fabrication of these macrocycles into robust membranes. We successfully transitioned from a laboratory based, hard-to-scale Langmuir trough synthesis to a highly scalable, roll-to-roll applicable, interfacial polymerization process. During this Phase II program, we established a platform of atomically precise membranes where our highly controllable, atomically precise macrocycles served as a scaffold with precisely and uniformly controlled pores. Furthermore, this layer can be tailored to accommodate a diverse range of functional groups, which both further controlled the pore size to enhance the sieving effect as well as imparting precisely controlled targeted selectivity through biomimetic molecular interactions. In this Phase II, we established and scaled up a platform approach to both tune the pore size and chemistry as well as scale it to produce membranes that can be applied to a wide range of industries. In future development, the project team expects to scale up both the macrocycle building block production and interfacial polymerization process to produce the atomically precise membrane with targeted pore sizes and pore chemistries.

36 MATERIALS SCIENCE↗
DOE OSTI2021

5.5 Hybrid Additively Manufactured Tooling for Large Composite Structures

This program sought to lower tooling costs for tightly toleranced, large composite aerostructures by using large format additive manufacturing (LFAM). LFAM tooling has the potential to lower tooling costs, but the large and unpredictable thermal expansion of polymer-based tooling did not previously allow for the production of large structures made with high performance resins requiring 350 deg F cures. Geometric tolerance issues and demolding concerns continued to arise. The proposed approach for this work was to print a thin shell via additive manufacturing that would be used as a scaffold for a conventional tooling prepreg. The prepreg would be laminated and cured onto both sides of the shell, creating a tool with a sandwich construction. The cured prepreg would then be machined and serve as the tooling surface. In addition to providing a clean, pit-free surface, the prepreg stiffness and low thermal expansion would physically restrain the AM shell and prevent it from expanding during thermal cycling, thus preventing any geometric mismatch between the nominal and actual part dimensions. A stair-step approach was taken to prove out this approach. Coupon level testing was done to ensure a good bond was possible between the AM shell and the tooling prepreg. These samples were also used to determine the amount of prepreg needed to achieve the desired coefficient of thermal expansion (CTE). The project team than progressed to a subscale tool measuring two feet in length. The geometry used was a C-section spar from Airbus’ Wing of Tomorrow program. A hybrid tool, using the AM shell and tooling prepreg, was made, and a composite part was fabricated with the tool. Dimensional scans of the tool and part indicated that the desired CTE was achieved with the tool. A second tooling approach was taken to reduce risk. In this approach, a subscale tool of the same geometry as previously mentioned was created, but the tool was entirely constructed of the tooling prepreg. AM was used to print a “master” that was then used to fabricate the tool by creating a splash off of the master using tooling prepreg. The innovation was that the master was not machined, but rather, was used right off the printer after a small amount of surface preparation. Removing this machining step was thought to make this approach economically viable when compared to conventional master fabrication. As before, the tool was used to fabricate a part and tested for dimensional accuracy. For the conclusion of the program, a ten-foot tool was created using the hybrid tool approach. The geometry also came from the Airbus C-section spar previously mentioned. Some difficulty arose in accurately predicting the geometry of the tool after laminating the tooling prepreg, resulting in multiple material additions and a tool geometry change. A part was fabricated in an autoclave using the tool. A cost savings of almost 50% was achieved on the subscale tool in both the hybrid and master-style tool, but the savings dropped considerably as the tool length increased in the full-scale tool. Given the less than expected cost savings and added complexity of the tool construction, it is suggested that the master-style tool is best for immediate commercialization for larger tools (although it may be appropriate for smaller, table-top size tools). Since its construction is very similar to conventionally made composite tooling, there already exists a broad supply chain for building the tool, and project partner Additive Engineering Solutions (AES) is well acquainted with the design and build of the AM master needed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Energize: An Interactive Evaluation Tool for Engaging the General Public with Energy Decision Making - Final Report

The public has an ever-increasing interest in the economic, environmental, and social impacts of global energy production. To support informed decision making, the scientific community has a responsibility to communicate reliable and straight-forward information to the general public, in an engaging way, regarding energy systems and how choices made at different stages of an energy technology life cycle can impact the cost, amount of materials used, and waste produced. Our objective is to enhance public engagement via an interactive electrical energy game (Energ!ze) through which players interact with one another in their quest to develop an electrical energy portfolio that optimizes economic (e.g., company profit), environmental (e.g., reduced CO 2 emissions), and social (e.g., public opinion) impacts. The design and development of Energ!ze was an iterative process involving an interdisciplinary team of engineers, discipline-based scientists, computer scientists, and education experts. The development objectives were two-fold: (1) Accurate and quantifiable modeling of electrical energy systems and (2) Engaging and interactive user interface within the construct of the game narrative. The major game mechanics in the current playable Energ!ze version focus on economic metrics, and the database is scaffolded to add environmental and social metrics for future versions. This report details the outcome of the funding period (Section 2 and 3) and describes the development process, along with recommendations for future development (Section 4).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Mechanisms Underlying Plastocyanin-Cytochrome f Electron Transfer Investigated via Site-Specific Linear and Two-dimensional Infrared Spectroscopy

The goal of this research is to further our understanding of biological electron transfer in photosynthesis through the development and application of new methods for studying proteins with high spatial and temporal detail. Biological electron transfer occurs between metal sites imbedded in proteins where the environment and its motions can be very different from those of normal bulk liquids. Moreover, electron transfer between two proteins typically involves short-lived binding interactions within a highly mobile complex. We have directed our studies at photosynthetic electron transfer proteins plastocyanin and cytochrome f. We have labeled two key ligands to the copper ion of plastocyanin with carbon deuterium probe vibrations that enable their selective analysis by infrared spectroscopy. This analysis has shown that association of plastocyanin with cytochrome f leads to large changes in the bonding between the copper ion and ligands. In addition, the probes have been used to assess the contribution of the protein scaffold of plastocyanin in dictating the copper coordination geometry. We also have made progress to extend our experiments from equilibrium to non-equilibrium studies. The studies help to illuminate how proteins are tuned to control biological electron transfer. A better understanding of electron transfer reactions in natural photosynthesis will bolster efforts to develop artificial systems for energy production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Computationally Guided Design of Multiple Impurities Tolerant Electrode (Final Report)

The current project was based on a combined experimental and computational approach, which can help recommend better cathode materials under multiple impurities conditions. The PI will mainly take in charge of experimental and computational thermodynamics of the selected cathode materials for the SOFC applications under multiple impurities. While the co-PI will run the electrochemical tests of the cathodes recommended and eventually the long-term degradation tests. At the end of the project, a multiple tolerant cathode material based on the combined experimental and computational approach will be recommended and the reliability of the commonly used accelerated testing will be evaluated. It will address multiple impurities poisoning effect of SO2, CO2, Cr and H2O on the LSM, LSCF and LNO cathodes by identifying the formation of the detrimental secondary phases by XRD, SEM and TEM techniques. And further recommended cathode material will be subjected to electrochemical testing and the most promising ones will be applied to long-term tests. The hybrid approach the PI proposed will not only be applied to the design of multiple impurities tolerant cathodes but will also be considered in the future oxygen electrode applications in SOECs or reversible SOCs. This hybrid computational and experimental approach includes four sections: 1) Investigation of single impurity poisoning on LSM, LSCF and LNO cathodes in the presence of SO2, CO2, Cr. In this section, LSM, LSCF cathodes from FuelCellMaterials and LNO cathodes from Sol-Gel synthesis will be heat-treated in the above single impurity. And the formation of the secondary phases as well as the corresponding simulations will be cross compared, which shows good agreement between each other. Meanwhile, the accelerated testing approach will be evaluated in these systems compared with the previous published work to understand the reliability of the approach. 2) Investigation of multiple impurities poisoning on LSM, LSCF and LNO cathodes in the presence of Cr+H2O, SO2+Cr and SO2+Cr+H2O conditions. We have also applied these 3 candidate cathodes under these multiple impurities’ conditions and the long-term degradation mechanism of the multiple impurities will be understood with the help of the combined experimental and computational approach. Meanwhile, the synergistic effect of those impurities will be compared with the individual ones in the same cathode system to further reveal the actual operating conditions. 3) Electrochemical testing and polarization of the recommended cathode. We have demonstrated very low polarization resistance in LSCF (core)-LSM (shell) electrodes using MSD process and analyzed impedance spectra using DRT analysis and confirming that the low polarization resistance in LSM infiltrated MSD cells is due to reduction in polarization resistance associated with O2-adsorption process. 4). Long-term degradation testing. We have developed a versatile MSD-based process to deposit various continuous coatings onto porous scaffolds and established baseline for longer term Cr-impurity testing in future projects.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Large-Area Lithium Electrode Sub-Assemblies (LESAs) Protected by Self Forming Microstructured Polymer-Inorganic Single-Ion Conducting Composites (Final Report)

The aim of this project is to realize a low-cost, safe, reversible, high-areal capacity lithium metal electrode though the use of scalable, low-cost Lithium Electrode Sub-Assembly (LESA). At its core, the LESA applies novel polymer scaffolds to nanostructure inorganic ionic materials into high-conductivity composites that stabilize lithium anodes during high-rate, high-capacity cycling in lithium metal batteries. Fundamental investigations from this project identified a newly defined region of stability for composites with respect to the shear modulus and lithium molar volume ratio which have been broadly applied in the scientific literature for a multitude of different systems. The advancements achieved in this field have furthered the fundamental understanding of lithium metal electrode chemistry and degradation mechanisms and resulted in a lithium metal anode with improved cycle life.

25 ENERGY STORAGE↗
DOE OSTI2020

De Novo Design of Molecular Recognition for Sequence Defined Polymers

The proposed research aims at developing a computational framework that allows the de novo design of sequence defined polymers for molecular recognition. This framework will include the prediction of the 1) accessible backbone conformational space in solution environments for small to medium polymer length and 2) how side chains of different size and functionality can be used to design convergent or divergent receptor configurations. A structural database inspired by the protein database will be build that can be used to construct larger scaffolds based on smaller sequences

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structural and Dynamical Design Principles for Iron-Sulfur Clusters in Sequence Defined Polymers

This integrated synthetic and computational effort uses sequence defined polymers such as peptoids, and triazines, capable of mimicking a flexible protein environment to control the positioning of side chains around redox cofactors. This strategy will allow modulation of redox properties through both direct and indirect mechanisms. To this end the aim is defined to test the underlying hypothesis: that principles and critical functionalities governing the binding and tuning of naturally occurring electron carrier co-factors can be identified and used to predictably design and synthesize maquettes based on non-natural polymers resulting in new modular biomimetic scaffolds for Electron Transfer Materials. This will be achieved through design and synthesis of ligands that can stabilize iron-sulfur clusters and tune the redox potential based on sequence.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accelerating Biomimetic Solar - Energy Harvesting: Mapping the Interaction Landscape of Plasmonic-Excitonic Hybrid Nanosystems (Final Report)

In general, excitonic and plasmonic nanoscale materials in close proximity show high potential for significant breakthroughs in energy related materials research. The interactions between these two kinds of materials result in coupled optical transitions (plexcitons), distinct from those of both the individual exciton and plasmon as well as from those of the sum of their constituents (synergistic effects). By linking together materials-research and physical-research approaches, this project contributes to a concerted approach on nanomaterials energy research. The project’s overall goal is to accelerate the development of well-defined plexcitonic model systems consisting of carefully engineered plasmonic and excitonic nanomaterial— essential for both gaining a fundamental understanding of plexcitonic nanomaterials and the development of novel design principles for biomimetic solar energy harvesting. During the 3-year project period and the terminal renewal with limited support for a 12-month period, we successfully synthesized and characterized (1) a robust excitonic nanomaterial and (2) a library of plasmonic nanoparticles as well as developed (3) a microfluidic platform for homogenous nanosynthesis as summarized below: (1) Robust Excitonic Nanomaterial. Supramolecular assemblies are Nature’s most successful material system for solar energy harvesting. However, photovoltaic devices based on artificial supramolecular assemblies continue to be stymied by disappointing efficiencies and poor stability. The conceptual failure may lie in current solar cell architectures, which rely on solidifying supramolecular assemblies as an ensemble into a solid matrix, neglecting the intrinsic fragility of the assemblies’ internal structure, thus disrupting or even destroying their delicate optoelectronic properties, that is, delicate Frenkel excitonic properties. Supramolecular assemblies may finally serve as usable light harvesting material systems for solar energy conversion technologies, only if they meet the following criteria: (a) Stability, that is, the fragile structure including its delicate Frenkel excitonic character needs to be stable, (b) Robustness, that is, resistant against elevated and fluctuating temperatures, and (c) Viability for device integration, that is, capable of being immobilized onto solid substrates. Here, by developing a nanocomposite via a tunable, cage-like scaffold design, we successfully provided stable supramolecular nanocomposites, that inhabit robust Frenkel excitons despite harming environmental conditions such as extreme heat stress. (2) Library of Plasmonic Nanoparticles. Naturally, current models describing plasmonic hybrid quantum states—plasmonic hybridizations—parallel those developed for molecular orbitals, equating individual plasmonic nanostructures with “atoms” and the plasmonic nanoassemblies with “molecules.” In analogy to organic synthesis, a suitably robust fabrication method would allow for “atom-like” manipulation of “molecule-like” plasmonic nanoassemblies; of high value for next-generation energy nanotechnologies. Despite this frequent comparison, current plasmonic nanoassembly fabrication methods favor top-down templating over wet-chemical synthesis, however, achieving precise control over nanostructure’s geometry and surface characteristics remain an art and a scientific challenge. The conceptual failure may lie in the current wet-chemical synthesis paradigm, as it relies on the accessibility of a multi-dimensional synthesis parameter space through limited, rather one-dimensional synthesis procedures by employing step-by-step approaches. Solution-based nanoarchitectonics for rational design of precisely built plasmonic nanoassemblies via solution-based fabrication may finally be possible only if multi-dimensional syntheses approaches are available that allow for comprehensive control over the plasmonic nanomaterials’ (a) Structural Properties and (b) Surface Properties. Here, by developing an innovative multidimensional 1,3-propanediol based polyol synthesis, we successfully provided control over the plasmonic building-block’s geometry (size and shape) together with its surface characteristics. Our results present a critical step toward the vision of a “periodic table-like” system for plasmonic materials based on straightforward wet-chemical syntheses for energy nanotechnologies. Developing deliberate modifications on this synthesis, we generated a library of plasmonic nanostructures covering the vast parameter space—opening the door for fundamental investigation of plexcitonic model systems. (3) Microfluidic Platform for Homogenous Nanosynthesis. Control over structural properties of plexcitonic nanocomposites remains a challenge due to current limitations in nanosynthesis techniques. Slight variations in nanostructure’s geometry impact their optoelectronic properties, demanding precise synthesis beyond the capabilities of solution-based (batch) synthesis processes. In contrast, the small, confined liquid volumes used in microfluidics—a reaction technique where the manipulation of fluids takes place in channels with dimensions of tens of micrometers—allows for homogenous synthesis conditions, providing excellent control of the reaction and, as a result, of the materials’ geopmetry and composition. However, thus far, the majority of plexcitonic systems has been developed via batch synthesis. Here, by successfully developing a two-channel microreactor, our microfluidic-supported synthesis approach combines the advantages of both microfluidics and batch platforms, allowing for precise spatio-temporal control over all synthesis parameters opening the possibility for homogenous nanosythnesis of well-defined plexcitonic model systems.

14 SOLAR ENERGY↗
DOE OSTI2023

LA100 Equity Strategies. Chapter 3: Community-Guided Energy Equity Strategies

The LA100 Equity Strategies project synthesizes community guidance with robust research, modeling, and analysis to identify strategy options that can increase equitable outcomes in Los Angeles' clean energy transition. Grounded in the analysis of past and ongoing energy inequities and engagement with underserved communities, the project presents community-guided strategies that aim to operationalize recognition and procedural justice. Chapters 1 and 2 target the problem space - the causal factors, impact areas, and values affecting LA's energy justice landscape. This chapter threads those themes through to begin focusing on the solution space. We examine community-identified problems and solutions through the lens of recognition and procedural justice, presenting analysis and strategies that form the basis for more equitable outcomes in LA's energy transition. In our listening sessions, underserved Angelenos highlighted the need to transition away from the status quo one participant described as "transactional extraction of information to check the box. To say yes, we engaged." She asked the LA Department of Water and Power (LADWP) to approach her community with respect and transparency, stating, "We consider you all to be experts in your community, and we'd like to authentically engage with you in the decision-making process. So, I do think there needs to be some intentional actions for that rapport building and that trust building." The community-informed analysis and strategies described in this chapter, which are foundational to the LA100 Equity Strategies project, rise to the challenge of engaging authentically to build rapport, establish relationships of respect, and meaningfully involve Angelenos in the decision-making process. LADWP is already making concerted efforts to redress a disproportionate distribution of investments in physical infrastructure and energy efficient technologies in Los Angeles. This chapter concentrates on the challenge to further rectify past and ongoing inequities in the social, cultural, and institutional scaffolding of Los Angeles. We examine community-guided strategies to tackle this challenge, informed by community input on how all Angelenos can equitably access green jobs and affordable, safe, and resilient energy services, technologies, and programs. These actionable strategies can help move energy equity programs from plans to applied practices, supporting LADWP in launching a just and equitable clean energy transition.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

LA100 Equity Strategies. Chapter 4: Lessons Learned and Options for Community Engagement in Los Angeles

The LA100 Equity Strategies project synthesizes community guidance with robust research, modeling, and analysis to identify strategy options that can increase equitable outcomes in Los Angeles' clean energy transition. Grounded in the analysis of past and ongoing energy inequities and engagement with underserved communities, the project presents community-guided strategies that aim to operationalize recognition and procedural justice. Building on the community-identified problems and solutions, and the analysis of the 11 strategies described in Chapter 3, this chapter continues to focus on the solution space through the lens of recognition and procedural justice. It centers the role of community engagement in energy utility planning and project development with a specific focus on how the Los Angeles Department of Water and Power (LADWP) can engage and work equitably with Los Angeles communities to cocreate a clean and just energy future for LA. LA100 Equity Strategies is rooted in the crucial role community engagement plays in restructuring the energy systems of cities, states, and nations. Scholarship on wind, solar, and other transitional energy technologies and projects has documented that such engagement is commonly used as a top-down mechanism for adapting social practices to fit new technological innovations. Yet, understanding how the clean energy transition - with related changes in technologies, infrastructures, practices, and costs - will fit equitably into the existing socio-political context is a challenge that requires substantive collaboration with local communities. Any form of community engagement opens up government officials and utilities to opposition from their public. Meaningful engagement methods turn such dissent into a strength, embracing critical feedback - particularly from communities historically excluded from decision-making - as contributing to more grounded design and effective implementation. Leveraging this collaborative model to further rectify past and ongoing inequities in the social, cultural, and institutional scaffolding of LA, this chapter presents options and methods to support LADWP in launching a just and equitable clean energy transition. We approach community engagement as a critical process linking recognition, procedural, and distributional justice, outlining how LADWP could learn from past engagement, coordinate such knowledge organization-wide, and use engagement as a key tool for achieving energy justice and equity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

LA100 Equity Strategies. Chapter 5: Low-Income Energy Bill Equity and Affordability

The LA100 Equity Strategies project synthesizes community guidance with robust research, modeling, and analysis to identify strategy options that can increase equitable outcomes in Los Angeles' clean energy transition. Grounded in the analysis of past and ongoing energy inequities and engagement with underserved communities, the project presents community-guided strategies that aim to operationalize recognition and procedural justice. Building on the community-identified problems and solutions, and the analysis of the 11 strategies described in Chapter 3, this chapter continues to focus on the solution space through the lens of recognition and procedural justice. It centers the role of community engagement in energy utility planning and project development with a specific focus on how the Los Angeles Department of Water and Power (LADWP) can engage and work equitably with Los Angeles communities to cocreate a clean and just energy future for LA. LA100 Equity Strategies is rooted in the crucial role community engagement plays in restructuring the energy systems of cities, states, and nations. Scholarship on wind, solar, and other transitional energy technologies and projects has documented that such engagement is commonly used as a top-down mechanism for adapting social practices to fit new technological innovations. Yet, understanding how the clean energy transition - with related changes in technologies, infrastructures, practices, and costs - will fit equitably into the existing socio-political context is a challenge that requires substantive collaboration with local communities. Any form of community engagement opens up government officials and utilities to opposition from their public. Meaningful engagement methods turn such dissent into a strength, embracing critical feedback - particularly from communities historically excluded from decision-making - as contributing to more grounded design and effective implementation. Leveraging this collaborative model to further rectify past and ongoing inequities in the social, cultural, and institutional scaffolding of LA, this chapter presents options and methods to support LADWP in launching a just and equitable clean energy transition. We approach community engagement as a critical process linking recognition, procedural, and distributional justice, outlining how LADWP could learn from past engagement, coordinate such knowledge organization-wide, and use engagement as a key tool for achieving energy justice and equity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Characterization of Orography-Influenced Riming and Secondary Ice Production and Their Effects on Precipitation Rates Using Radar Polarimetry and Doppler Spectra (CORSIPP-SAIL)

The Characterization of Orography-Influenced Riming and Secondary Ice Production and Their Effects on Precipitation Rates Using Radar Polarimetry and Doppler Spectra (CORSIPP) project was conducted to help improve the understanding of precipitation formation in orographically influenced terrain. Special focus is put on the two processes of riming and secondary ice production and their external drivers. Two instruments, a polarimetric W-band simultaneous transmission simultaneous reception (STSR) Doppler cloud radar manufactured by Radiometer Physics GmbH (RPG, instrument type RPG-FMCW-94-DP), from now on named LIMRAD94, and the video in situ snowfall sensor (VISSS), were deployed at the U. S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Surface Atmosphere Integrated Field Laboratory (SAIL) site in Gothic, Colorado between November 2022 and June 2023 during the second SAIL winter. Note that the exact dates of data availability differ between the instruments. Both instruments arrived at Gothic on November 2, 2022, 09:20 local time. VISSS, described by Maahn et al., is equipped with two camera systems with telecentric lenses. The two cameras are at a 90° angle to each other. This configuration allows for size-independent measurements by capturing images of hydrometeors from two sides at a high frame rate of 250 Hz. With a minimum detection size of 200 μm, VISSS provides valuable insights into particle size, number, shape, complexity, and fall velocity. The VISSS was deployed on the grassland next to the ARM facility with the amazing help of the ARM employees on site. The setup started on November 2, 2022, and was finished on November 5, 2022, without major problems. VISSS measurements were started on November 6, 2022. LIMRAD94 was installed on a scaffolding platform near Orehouse (Gothic) on November 9, 2022, with the great help of RMBL staff. LIMRAD94 was mounted on a cold temperature scanner prototype. After a short test of the setup on November 9, 2022, the digital control of the scanner elevation stopped working for (at that time) unknown reasons. All attempts to resolve the problem failed. This malfunction made it impossible to operate LIMRAD94 in scanning mode. The scanner was then manually moved to zenith pointing mode and between November 10 and November 15, 2022, vertical observations for polarimetric calibration were performed. On November 15, 2022, after the polarimetric calibration was applied, the scanner was manually moved to 40° elevation with azimuthal view towards the Ka-band ARM Zenith Radar (KAZR) and measurements were continued at constant elevation. Investigation of the scanner malfunction on February 6, 2023, by Benn Schmatz revealed a disengagement between the cogwheel of the elevation motor and the cogwheel moving the scanner in elevation. This mechanical issue was temporarily solved by re-engaging the cogwheels. This made the scanner operational again for about four weeks, until mechanical force disengaged the cogwheels again on March 15, 2023. This repeated scanner failure remained undetected for about three weeks until April 8, 2023; during this time the scanner was stuck at 72° elevation. However, the radar software continued to produce data files falsely indicating that the scanner was still operational. After the scanner failure was noticed, scanning was stopped again, and we returned to constant elevation measurements. On May 15, 2023, the cogwheels of the elevation motor were secured with additional screws sent by the manufacturer. At some point in May, the cogwheels of the azimuth motor were also disengaged by mechanical force, which still allowed for range height indicator (RHI) but no plan position indicator (PPI) scans in the last weeks of the campaign. The azimuth motor was repaired in Germany after the end of the campaign. Throughout the campaign, RMBL and ARM staff kept the radar and the VISSS free of snow.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Developing nanometer scale, atomically precise metallo-catalysts with Molecular Lego

We propose to create atomically precise, highly robust, nanometer scale macromolecules that organize biomimetic metal binding groups in designed three-dimensional pockets to accelerate specific polymerization reactions. These atomically precise catalysts will create atomically precise polymers with improved mechanical and environmental properties from renewable building blocks. We seek to create and study nanometer scale catalysts that mimic metallo-enzymes in their activity and selectivity because these larger catalysts will be able to make more extensive non-covalent contacts with the transition state of the growing polymer. These catalysts will have extended lifetimes because they will better protect the metals and higher activity because additional reactive groups can be brought in close contact with the active site to enhance reactivity. They will be far more tolerant to extremes of temperature and will not denature in non-aqueous solvents because they are held together by multiple, strong, covalent bonds. Our approach to catalysts could be used to develop catalysts to replace noble metal-based catalysts when targeting other reactions, because the geometry of the active site enforced by the Molecular Lego scaffolding will access new reactivity, mimicking how nature uses earth abundant metals for much of its catalysis. We will initially target Lewis acid-based catalysts that assemble aliphatic polyesters with improved stereoselectivity, tacticity and complex alternation of monomers. Aliphatic polyesters have received growing attention as attractive, environmentally benign, and sustainable alternatives to polymers developed from petroleum feedstocks. Aliphatic polyesters are environmentally friendly because they undergo facile hydrolytic degradation to benign products, and they have excellent properties and high biocompatibility. We will assemble these catalysts using unique “Spiroligomers” (aka Molecular Lego) chemistry developed in the Schafmeister group combined with the organometallic chemistry expertise of the Dobereiner group. Polymers are an attractive synthetic target of nanoscale atomically precise catalysts because their resulting structure, stereochemistry and tacticity has profound impact on their properties (crystalline vs amorphous) and provides a readout of the catalytic mechanism. Polymer synthesis also serves as an example of “atomically precise manufacturing” where atomically precise nanoscale catalysts construct polymers with atomic precision at increasing length scales.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Functionalization of nitrogen vacancy-containing nanodiamonds with a metal-organic framework for quantum sensing applications

Nitrogen vacancy (NV)-containing nanodiamonds (NDs) are an important material in applications such as biological imaging, catalysis, and, in particular, quantum sensing. Careful manipulation of the surface coating on NV NDs is essential for both enhancing quantum sensor performance and for tuning selectivity towards specific sensing targets. Here, we demonstrate a simple synthetic approach for functionalizing NV NDs with the zeolitic imidazole framework-8 (ZIF-8) metal–organic framework (MOF), providing a well-ordered, porous scaffold for immobilizing target analytes near the NV ND surface. The composites were structurally characterized by x-ray diffraction, electron microscopy, and X-ray photoelectron spectroscopy, and these results were all consistent with NV NDs fully encapsulated by ZIF-8. Critically, the luminescent properties of the NV NDs, which are vital for quantum sensing experiments such as optically detected magnetic resonance (ODMR), are unchanged by the MOF coating. Moreover, spin relaxometry experiments indicate that the ZIF-8 coating significantly enhances the NV ND spin longitudinal relaxation time T1, a critical quantum parameter for sensing applications. Given the tremendous structural diversity of MOFs, the NV ND@MOF composites are an exciting material class with exciting implications for the development of high-performance quantum sensors.

Crawford, Scott↗
DOE OSTI2024

Cell-free bioelectrocatalytic platform for carbon dioxide reduction (Final Technical Report)

The University of Minnesota (UMN) EcoSynBio Team aimed to develop a cell-free, enzyme-based platform for the electro- biocatalytic conversion of CO2 into formate as a platform chemical for further upgrading. This type of bio electrocatalytic process delivers a clean product stream without the need for extensive separation from the electrolyte as in electrochemical synthesis and microbial processes. The reduction reaction is catalyzed by metal-dependent formate dehydrogenases (mFDHs) that are capable of efficient electrocatalytic CO2 reduction without the need of costly co-factors. The development of an efficient, scalable electrobiocatalytic process with high total turnover numbers and viable space time yields, however, was not without its challenges. The UM team has developed a protein-based scaffolding system that facilitates enzyme stabilization and attachment to electrodes along with electron transfer. Yet, although FDHs are highly promising enzymes for cell-free, electrobiochemical CO2 reduction, they are also greatly understudied and especially for applications in electrocatalysis. The UM team used the best described mFDH from Clostridium as its benchmark system and spent significant time and effort in attempting to replicate published data and finally, redesigned a recombinant production system for proper metal co-factor incorporation. The UM team has also identified a small set of new enzyme homologs from extreme microorganisms with superior stabilities that have yielded initial structural data for further engineering. In addition, a new bioelectrocatalytic reactor system has been developed that can be 3D printed and used for enzyme attachment to electrodes. In summary the project has generated critical basic information for the further development of this class of enzymes for the electricity driven reduction of CO2 into formate as platform chemical for upgrading into various other chemicals, including fuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bringing Inorganic Carbon to Life: Developing Model Metalloenzymes for C1 Conversion Reactions

The global carbon cycle is carefully balanced through the use of specialized enzymes in plants, algae, bacteria, and archaea. A primordial metabolic pathway for the conversion of inorganic carbon into cellular biomass uses a large, nickel-containing enzyme called carbon monoxide dehydrogenase (CODH)/acetyl coenzyme A synthase (ACS). This system fixes carbon dioxide (CO 2 ) into carbon monoxide (CO) at the CODH site. The carbon monoxide is then used to generate acetyl coenzyme A, a biological building block, through a key carbon-carbon bond forming step at the nickel site in ACS. Despite the significance of these processes in the context of energy conversion, the fundamental chemistry underlying these transformations has remained elusive, in part due to the complexity of the natural enzyme. To better understand the principles governing these biological processes, which represent one-carbon (C 1 ) activation reactions, this project will develop functional models of CODH and ACS based on modifications to a small metalloprotein scaffold. Comprehensive characterization of these systems using advanced spectroscopic and biophysical techniques will reveal key elements responsible for conferring high levels of activity to the model systems, with implications for gaining insight into the mechanisms of the natural enzymes. Moreover, the principles learned from this research can be used to guide design of robust catalysts for efficient conversion of CO 2 and CO into liquid fuels.

10 SYNTHETIC FUELS↗