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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Low-cost Manufacturing of Semitransparent CdTe PV for Building Integration

Solar has been demonstrated to be a robust renewable energy source, constituting a significant portion of the United States’ renewable energy portfolio. Despite its growth across residential, commercial, and utility sectors over the past decades, it remains a small fraction of the overall energy infrastructure. Challenges persist in fully harnessing solar power to meet the nation's escalating energy demands. Among these challenges lies the hurdle of efficiently distributing large quantities of solar-generated electricity to densely populated regions with the highest energy needs and costs. Traditional utility-scale arrays demand extensive land, a luxury often unavailable in metropolitan areas. Consequently, installations must be situated at a distance, necessitating additional infrastructure for electricity transmission to service areas. While metropolitan landscapes lack sprawling open spaces suitable for conventional utility-scale solar deployment, they offer a different resource: windows. Semitransparent photovoltaic window technology has the potential to not only bolster the grid's energy capacity, but to also provide HVAC and economic advantages to building owners. However, commercial availability of building-integrated photovoltaic windows remains limited. Silicon based photovoltaics currently dominate the solar market but adapting them for use in windows poses a variety of engineering and economic challenges such as relatively low power density, high costs associated with custom manufacturing, and aesthetic considerations. Addressing these challenges, this project explored the use of laser ablation patterning to manufacture cost-effective, high-efficiency, semitransparent Cadmium Telluride photovoltaic modules. Results showcased the potential of this methodology in developing photovoltaic windows and other innovative semitransparent PV applications. The ablation manufacturing technique demonstrated great versatility in achieving different patterns and levels of visible light transmission, and the power loss due to ablation was nearly directly proportional to the amount of material removed. Furthermore, the manufacturing process for Cadmium Telluride modules already has established advantages in material and energy efficiency, and the conversion of a standard submodule to semitransparent essentially requires a single additional process step, ensuring scalability. It is important to note that during this work, Toledo Solar experienced substantial organizational upheaval stemming from a lawsuit with First Solar. An external investigation led the board of directors to remove and replace the previous management team, and several other members of the staff elected to depart as well, including the then acting Principle Investigator on this project. The remaining Toledo Solar team attempted to recover from the disruption and deliver on the remaining tasks, but upon its own review, the Department of Energy ruled the project in default and terminated the contract in December 2023.

14 SOLAR ENERGY↗
DOE OSTI2024

EchemFEM: A Firedrake-based Python package for electrochemical transport

The transition from fossil fuels to renewable energy has brought about a rapid increase in the availability of clean electricity. However, electricity generated from sources such as wind and solar are limited to intermittent operation due to daily and seasonal variation. One solution is to utilize electrochemical devices in energy storage and electrochemical manufacturing applications, where they can harness surplus energy and decarbonize chemical industries traditionally reliant on petrochemical feedstocks. Managing the growing prevalence of renewable energy underscores the importance of developing and scaling up these technologies, which can in turn facilitate the achievement of carbon emission reduction commitments of companies and developed economies. Likewise, the electrification of transport creates an increasing need for energy-dense electrochemical energy storage devices such as batteries and supercapacitors. Naturally, simulation tools are required to assist in the design of efficient and industrial-scale electrochemical devices.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Benchtop Autonomous Electrochemical Characterization System for Combinatorial Thin-Film Solid Oxide Electrodes

The design of materials for electrochemical energy conversion is complicated by a vast search space of candidate materials and multifaceted property requirements: multicarrier conductivity, stability, and catalytic activity are all necessary but rarely intersect. Although self-driving laboratories are rapidly rising to address such material optimization problems, the required infrastructure for integrated, large-scale robotic facilities can be cost-prohibitive. Here we develop and evaluate a closed-loop measurement system for efficient screening of proton-conducting oxide electrodes for ceramic fuel cells and electrolyzers, building on top of an existing benchtop instrument and integrating techniques for rapid impedance measurement and automated analysis. This system exemplifies a “minimum viable” self-driving implementation that can deliver substantial benefits with relatively simple infrastructure. Combinatorial thin-film microelectrode libraries are characterized with a recently developed joint time-domain and frequency-domain impedance measurement technique, which provides an order-of-magnitude acceleration relative to conventional impedance spectroscopy. The distribution of relaxation times is extracted from impedance data and analyzed without human intervention. These results feed an active learning and Bayesian optimization process that learns to predict electrochemical impedance as a function of material composition, measurement temperature, oxygen partial pressure, and electrical bias, which further reduces the screening time by tenfold with optimized experimental sequences. We apply this system to Ba⁡(Co,Fe,Zr,Y)⁢O 3−𝛿 combinatorial libraries and evaluate its effectiveness for learning material property trends and optimizing expensive-to-evaluate properties such as activation energy. This offers insights into key methodological aspects of practical autonomous experimentation, including surrogate model validation, cost-aware acquisition functions, and high-throughput data interpretation. Our results demonstrate the efficacy of the system for rapidly gathering information, but also highlight real-world experimental challenges of thin-film degradation and numerical instability in surrogate models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Center for Efficiency in Sustainable Energy Systems

The main goal of the Center for Efficiency in Sustainable Energy Systems is to produce a methodology that evaluates a variety of energy systems. Task I. Improved Energy Efficiency for Industrial Processes: This task, completed in partnership with area manufacturers, analyzes the operation of complex manufacturing facilities to provide flexibilities that allow them to improve active-mode power efficiency, lower standby-mode power consumption, and use low cost energy resources to control energy costs in meeting their economic incentives; (2) Identify devices for the efficient transformation of instantaneous or continuous power to different devices and sections of industrial plants; and (3) use these manufacturing sites to demonstrate and validate general principles of power management. Task II. Analysis of a solid oxide fuel cell operating on landfill gas: This task consists of: (1) analysis of a typical landfill gas; (2) establishment of a comprehensive design of the fuel cell system (including the SOFC stack and BOP), including durability analysis; (3) development of suitable reforming methods and catalysts that are tailored to the specific SOFC system concept; and (4) SOFC stack fabrication with testing to demonstrate the salient operational characteristics of the stack, including an analysis of the overall energy conversion efficiency of the system. Task III. Demonstration of an urban wind turbine system: This task consists of (1) design and construction of two side-by-side wind turbine systems on the YSU campus, integrated through power control systems with grid power; (2) preliminary testing of aerodynamic control effectors (provided by a small business partner) to demonstrate improved power control, and evaluation of the system performance, including economic estimates of viability in an urban environment; and (3) computational analysis of the wind turbine system as an enabling activity for development of smart rotor blades that contain integrated sensor/actuator/controller modules to enhance energy capture and reduce aerodynamic loading and noise by way of virtual aerodynamic shaping. Accomplishments: Task I. Improved Energy Efficiency for Industrial Processes: We organized an energy management training session held on February 22, 2011, which was advertised through a regional manufacturing association to provide wide-ranging notification. Over two dozen companies were represented a the seminar, ranging from heavy manufacturing businesses with $5,000,000 per year energy expenses, to small, light manufacturing facilities. Task 2. Landfill Fuel Cell Power Generation Solid Oxide Fuel Cells (SOFCs) were constructed and evaluated as a means of obtaining electrical energy from landfill gas. Analysis of landfill gas. Attempts at collecting gas samples at the landfill and evaluating them on campus were still unsuccessful. Even a Teflon® sample bag would lose its H2S content. Evaluation of Gas Clean-up We consider this a confirmation of the CO2 effect on the solubility of H2S in water making much less sulfide available for the photocatalyst. It also means that another method should be employed to clean up landfill gas. Nonetheless, composition of impurities in landfill gas was reduced sufficiently to allow successful operation of the test fuel cell. Comparison to a PEM fuel cell system. If a PEMFC were to be operated with landfill gas as the fuel, the gas would have to be treated for sulfur removal, and then processed in a reformer large enough to drive the equilibrium far toward the products, so that negligible CO would flow into the fuel cell. Analysis of a fuel cell running on landfill gas. Using a Gow-Mac gas chromatograph with a thermal conductivity detector, unambiguous determination of CO can be made, at least as a primary constituent Task 3: Task 3 Plasma Controlled Turbine Blades Wind Turbine Selection. After carefully reviewing the various model available in the market the team selected the ARE 110 (2.5kW). The ARE 110 provides a very long life with little maintenance due to their relatively low rotational speeds (low RPM). The turbines large swept area (10.2ms2/110sq.ft), high-efficiency blades, purpose built alternator, and optimized power electronics ensure maximum energy capture from a wide range of wind speeds. Two wind turbines were installed side-by-side at the Melnick Hall site to compare their performance. Evaluate and Optimize Aerodynamically Enhanced Turbine Blades Due to delays in the installation of the wind turbines, no actual data was obtained within the contract period. At this time, the turbines are installed and operational at YSU with standard blades. We are in contact with Orbital Research and in discussion as to how best the required data can be obtained.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

An Integrated High Pressure SOFC and Premixed Compression Ignition (PCI) Engine System

Components for a transformative, high pressure, intermediate temperature solid oxide fuel cell (SOFC) and premixed compression ignition (PCI) engine system were developed. The resulting system is a 1 MWe natural gas fueled hybrid SOFC and reciprocating internal combustion engine system capable of achieving over 70% electrical efficiency at a cost of $0.87/W. To achieve 70% electric efficiency, the SOFC system operates at 80% fuel utilization; however, when operating at this high level of fuel utilization, fuel to the engine (anode tailgas) is extremely dilute. Accordingly, a substantial portion of the effort focused on development and assessment of the combustion strategy capable of consuming this dilute fuel mixture. The engine testing effort showed that pre-chamber assisted compression ignition provides the best combination of controllability, efficiency and emissions. The engine experiments showed that high efficiency combustion can be achieved with near zero criteria pollutants. It is likely that the engine system could operate with minimal aftertreatment requirements, reducing complexity, cost, and precious metal usage. System level modeling was used to assess the overall efficiency, determine cost and efficiency tradeoffs, and demonstrate the potential to perform load following with the hybrid system. Finally, advanced manufacturing was used to demonstrate the potential to fabricate heat exchangers needed for the hybrid system from low chromium materials, which addresses the issue of chromium poisoning of the SOFC stack material.

03 NATURAL GAS↗
DOE OSTI2018

Novel Solar Cell Materials: Insights from First-Principles

Although silicon solar cells currently dominate the market share for photovoltaic (PV) devices, it is important to explore other materials and device configurations that could be cheaper and more environmentally friendly to produce, as well as potentially more efficient at energy conversion. Here, we review some of our recent theoretical work aimed at accurate evaluation of key materials properties associated with optimizing alternative PV materials. These include potential new light absorbers and transparent conductors in devices ranging from traditional PVs to tandem dye-sensitized solar cells and thin-film PVs to intermediate band gap PVs. We specifically focus on two materials families: transition-metal oxides (TMOs), such as NiO, CoO, FeO, and Cu 2 O, and mixed metal sulfides, such as Cu 2 ZnSnS 4 . Furthermore, both families are p-type semiconductors being explored as less expensive solar cell components.

14 SOLAR ENERGY↗
DOE OSTI2016

Recovery Act: Demonstration of a SOFC Generator Fueled by Propane to Provide Electrical Power to Real World Applications

The objective of this project provided with funds through the American Recovery and Reinvestment Act of 2009 (ARRA) was to demonstrate a Solid Oxide Fuel Cell (SOFC) generator capable of operation on propane fuel to improve efficiency and reduce emissions over commercially available portable generators. The key objectives can be summarized as: Development of two portable electrical generators in the 1-3kW range utilizing Solid Oxide Fuel Cells and propane fuel; The development and demonstration of a proof-of-concept electro-mechanical propane fuel interface that provides a user friendly capability for managing propane fuel; The deployment and use of the fuel cell portable generators to power media production equipment over the course of several months at multiple NASCAR automobile racing events; The deployment and use of the fuel cell portable generators at scheduled events by first responders (police, fire) of the City of Folsom California; and Capturing data with regard to the systems’ ability to meet Department of Energy (DOE) Technical Targets and evaluating the ease of use and potential barriers to further adoption of the systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Electric Motor Thermal Management R&D. Annual Report

With the push to reduce component volumes, lower costs, and reduce weight without sacrificing performance or reliability, the challenges associated with thermal management increase for power electronics and electric motors. Thermal management for electric motors will become more important as the automotive industry continues the transition to more electrically dominant vehicle propulsion systems. The transition to more electrically dominant propulsion systems leads to higher-power duty cycles for electric drive systems. Thermal constraints place significant limitations on how electric motors ultimately perform, and as thermal management improves, there will be a direct trade-off between motor performance, efficiency, cost, and the sizing of electric motors to operate within the thermal constraints. The goal of this research project is to support broad industry demand for data, analysis methods, and experimental techniques to improve and better understand motor thermal management. Work in FY15 focused on two areas related to motor thermal management: passive thermal performance and active convective cooling. Passive thermal performance emphasized the thermal impact of materials and thermal interfaces among materials within an assembled motor. The research tasks supported the publication of test methods and data for thermal contact resistances and direction-dependent thermal conductivity within an electric motor. Active convective cooling focused on measuring convective heat-transfer coefficients using automatic transmission fluid (ATF). Data for average convective heat transfer coefficients for direct impingement of ATF jets was published. Also, experimental hardware for mapping local-scale and stator-scale convective heat transfer coefficients for ATF jet impingement were developed.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Optimizing Hydride Stability in U-ZrH x Nuclear Fuel: The “Goldilocks Radius”

Nuclear-powered microreactors show great promise for opening new nuclear energy markets due to the flexibility offered by their rapid/streamlined in-factory fabrication, transportability, and self-regulating nature. The economic benefits of any commercialized nuclear reactor, however, rely on the system’s ability to produce large amounts of heat and efficiently convert that heat into electrical power reliably for long periods of time. Uranium-zirconium hydride (U-ZrH x ) is currently being considered for compact reactor designs because it is a well-known nuclear fuel system that is self-moderating, but this fuel, which has historically been used for research reactors, has not been optimized for commercial power production. Here, this paper analyzes the hydride stability of standard 304 stainless steel–clad U-ZrH x fuel under commercially relevant conditions. Fuel element design parameters, including physical dimensions, as-fabricated hydrogen content, burnup, peak fuel temperature, temperature gradient, operational fuel cycle duration, and volumetric heat generation rate, are discussed with a focus on hydrogen distribution and phase stability within the fuel element. Hydride stability declines more rapidly as the coolant temperature, burnup, and fuel cycle duration increase. Using a fuel-cladding gap material with heat transfer properties superior to air, such as helium or sodium, is essential to prolonging fuel hydride stability. The fuel’s physical dimensions are also important. At very small fuel diameters, the H/Zr ratio in the fuel meat decreases too rapidly due to the hydrogen content’s dependence on fuel meat volume. Conversely, the fuel meat temperature and temperature gradient exacerbate hydrogen loss at very large fuel diameters. We find that the most important parameter to consider when optimizing the hydride stability of U-ZrH x fuel is the relationship between the fuel meat radius and the power density in the fuel. A simple equation is empirically determined that relates the “Goldilocks radius,” that is, the fuel radius for which the H/Zr ratio is most stable, to the power density in the fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Electron/hole selectivity in organic semiconductor contacts for solar energy conversion (Final Report)

Four major and accomplishments for the project "Electron/hole selectivity in organic semiconductor contacts for solar energy conversion.'' are reported. The first is a development of a model describing the contact-determined behavior of a solar cell. The most basic solar cell consists of an intrinsic (pure) semiconductor that acts as an absorber to which contacts are made that provide the asymmetry needed to create a driving force (voltage) for the directional flow of electrons (current), in other words, to convert sunlight into electrical energy. The asymmetry at the contacts comes from the different rate at which electrons and holes, the charge carriers generated by illumination, are collected. We developed a model that describes the ideal current-voltage, and hence energy converting properties, of an ideal photovoltaic that is entirely determined by the kinetics for these charge collection processes. Second, we measured how organic semiconductor interfacial layers impact contact electron and hole transfer rates at semiconductor interfaces and described how these concepts do or do not determine the open-circuit voltage of a solar cell. The work clearly controverts common general misconceptions about the action of contact interfacial layers, such as the idea that improved selectivity for one carrier over the other results from decreased recombination, and quantitatively demonstrates how specific interfacial layer materials act to improve the efficiency of a solar cell. Third, we measured the sub-band gap external quantum efficiency (EQE) of a series of organometal halide perovskite (“perovskite”) solar cells. These measurements quantified band-tailing and revealed defect states, which can cause recombination, that correlate with composition, performance, and hysteresis. Finally, we developed a semiconductor bipolar membrane that uses light to pump ions. This structure is unique among systems that drive ion gradients using light in that it is designed to pump salt rather than one sign of ion; it is a photochemical salt pump.

14 SOLAR ENERGY↗
NASA NTRS1986

Brayton cycle solarized advanced gas turbine

Described is the development of a Brayton Engine/Generator Set for solar thermal to electrical power conversion, authorized under DOE/NASA Contract DEN3-181. The objective was to design, fabricate, assemble, and test a small, hybrid, 20-kW Brayton-engine-powered generator set. The latter, called a power conversion assembly (PCA), is designed to operate with solar energy obtained from a parobolic dish concentrator, 11 meters in diameter, or with fossil energy supplied by burning fuels in a combustor, or by a combination of both (hybrid model). The CPA consists of the Brayton cycle engine, a solar collector, a belt-driven 20-kW generator, and the necessary control systems for automatic operation in solar-only, fuel-only, and hybrid modes to supply electrical power to a utility grid. The original configuration of the generator set used the GTEC Model GTP36-51 gas turbine engine for the PCA prime mover. However, subsequent development of the GTEC Model AGT101 led to its selection as the powersource for the PCA. Performance characteristics of the latter, thermally coupled to a solar collector for operation in the solar mode, are presented. The PCA was successfully demonstrated in the fuel-only mode at the GTEC Phoenix, Arizona, facilities prior to its shipment to Sandia National Laboratory in Albuquerque, New Mexico, for installation and testing on a test bed concentractor (parabolic dish). Considerations relative to Brayton-engine development using the all-ceramic AGT101 when it becomes available, which would satisfy the DOE heat engine efficiency goal of 35 to 41 percent, are also discussed in the report.

Source record↗
DOE OSTI2019

Multi-Modal Energy Analysis for Inter-City Freight Movement

This project addresses the impact of emerging technologies on inter-city freight energy demand, shipping time, and cost. Technologies addressed include electrified long-haul trucks, connectivity and efficient operations, and platooning. The research questions are addressed using national level analysis, a multi-modal inter-city freight energy model, and development of a Freight Mobility Energy Productivity (F-MEP) metric. This project improves on national level analysis and modeling completed in prior fiscal years by disaggregating freight flows both geographically and temporally and incorporating both energy and cost in the modeling framework. The inter-city freight energy model uses a bi-level optimization approach to minimize total network cost (lower level) and energy (upper level). Two new F-MEP frameworks are presented, one for intra-city freight mobility and one for inter-city freight mobility.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Co-synthesis of Hydrogen and High-Value Carbon Products from Methane Pyrolysis

The ARPA-E Methane Pyrolysis Project successfully developed a scalable technology for hydrogen production with low-CO x emission through methane pyrolysis, co-producing high-value carbon nanotubes (CNTs). The project focused on optimizing reactor design, enhancing catalyst performance, and assessing techno-economic feasibility to create a commercially viable and environmentally sustainable process. The fluidized bed reactor achieved over 90% methane (CH 4 ) conversion by using a 5% CO 2 co-feed, which stabilizes carbon yields and minimizes catalyst deactivation. This setup allowed for continuous operation across ten cycles, each consisting of a 14-minute pyrolysis phase followed by a 10-minute dislodging phase to remove a fraction of the accumulated carbon, resulting in stable performance and high-quality CNT production. In parallel, monolith reactors coated with Fe demonstrated a sustained methane conversion of 73% while producing CNTs with high crystallinity. Although promising for continuous operation, monolith reactors face challenges in coating durability and scalability, highlighting areas for further optimization in commercial applications. Catalyst formulation played a key role in enhancing process efficiency. The core catalyst used was 5%Fe/Al 2 O 3 (wt%), optimized through wet impregnation, which improved CNT morphology, yielding longer and more uniform CNTs. The catalyst's performance was further enhanced by adding promoters: 2.5 wt% Ni increased methane conversion close to the thermodynamic limit, while 2.5 wt% Mn improved CNT alignment and crystallinity, and 1.5 wt% NaCl boosted CNT morphology but slightly lowered methane conversion. These adjustments allowed the reactor to maintain high methane conversion while producing high-quality CNTs, enabling stable performance over multiple cycles. To address carbon buildup and ensure uninterrupted operation, a pneumatic conveying tube was implemented for effective carbon dislodging in the fluidized bed configuration. CO 2 and H 2 O co-feeds were also introduced to enhance carbon removal, with CO 2 boosting CNT yield by approximately 15%. This setup enabled stable reactor operation across multiple cycles, preventing clogging and minimizing catalyst wear, making the process suitable for industrial scaling. Techno-economic analysis (TEA) projected hydrogen production costs between $\$$1.00 and $\$$1.64 per kilogram, with CNT values assumed at $\$$375/ton and $\$$100/ton. The life cycle assessment showed that CO 2 emissions could be as low as 0.64 kg CO 2 e/kg H 2 at 95% methane conversion assuming an electricity input of 50 kg CO 2 e/MWh. Even at 50% methane conversion, emissions remained below 1 kg CO 2 e/kg H 2 , demonstrating the process's low-emission potential and making it a viable alternative to traditional steam methane reforming. Overall, the results from this project demonstrate the feasibility of a pyrolysis process where carbon is continuously removed from the catalyst surface and hydrogen is continuously produced until a catalyst regeneration step is required to fully clean the catalyst surface and renew catalyst performance. Major open challenges are related to avoiding the loss of catalyst material in the dislodged carbon during fluidized bed conditions, since our best result demonstrated a carbon purity of ~70 wt. % (rest being iron and alumina). A monolith reactor was used to favor dislodgement of carbon compared to fluidized bed conditions but our results do not demonstrate an advantage of the monolith configuration. Catalyst performance was similar to fluidized bed conditions with slower deactivation rates overall, but we could not observe carbon dislodging in any of the tens of experiments that were run at Stanford. Our results show that the most relevant areas of improvement are related to the fundamental understanding of the iron-carbon interface for dislodging, and the development of catalyst that can produce CNTs via a base-growth mechanism such that catalyst is not lost in the dislodgement steps. The final report documents all findings and methodologies in detail, providing a valuable resource for the scientific community. By building on these results, researchers can further advance methane pyrolysis technology, moving toward a more sustainable, scalable pathway for hydrogen production. This work lays the foundation for future research and commercial efforts to reduce emissions in hydrogen production while generating valuable carbon products.

08 HYDROGEN↗
NASA NTRS1997

Particle Acceleration in Active Galactic Nuclei

The high efficiency of energy generation inferred from radio observations of quasars and X-ray observations of Seyfert active galactic nuclei (AGNs) is apparently achieved only by the gravitational conversion of the rest mass energy of accreting matter onto supermassive black holes. Evidence for the acceleration of particles to high energies by a central engine is also inferred from observations of apparent superluminal motion in flat spectrum, core-dominated radio sources. This phenomenon is widely attributed to the ejection of relativistic bulk plasma from the nuclei of active galaxies, and accounts for the existence of large scale radio jets and lobes at large distances from the central regions of radio galaxies. Reports of radio jets and superluminal motion from galactic black hole candidate X-ray sources indicate that similar processes are operating in these sources. Observations of luminous, rapidly variable high-energy radiation from active galactic nuclei (AGNs) with the Compton Gamma Ray Observatory show directly that particles are accelerated to high energies in a compact environment. The mechanisms which transform the gravitational potential energy of the infalling matter into nonthermal particle energy in galactic black hole candidates and AGNs are not conclusively identified, although several have been proposed. These include direct acceleration by static electric fields (resulting from, for example, magnetic reconnection), shock acceleration, and energy extraction from the rotational energy of Kerr black holes. The dominant acceleration mechanism(s) operating in the black hole environment can only be determined, of course, by a comparison of model predictions with observations. The purpose of the work proposed for this grant was to investigate stochastic particle acceleration through resonant interactions with plasma waves that populate the magnetosphere surrounding an accreting black hole. Stochastic acceleration has been successfully applied to the problem of ion and electron energization in solar flares, and is capable of accounting for a wide range of both neutral and charged particle emissions. It is also a component in diffusive shock acceleration, since pitch-angle scattering (which is necessary for multiple shock crossings) is accompanied by diffusion in momentum space, which in turn yields a net systematic energy gain; however, stochastic energization will dominate the first-order shock process only in certain parameter regimes. Although stochastic acceleration has been applied to particle energization in the lobes of radio galaxies, its application to the central regions of AGNs has only recently been considered, but not in detail. We proposed to systematically investigate the plasma processes responsible for stochastic particle acceleration in black hole magnetospheres along with the energy-loss processes which impede particle energization. To this end we calculated acceleration rates and escape time scales for protons and electrons resonating with Alfven waves, and for electrons resonating with whistlers. Assuming either a Kolmogorov or Kraichnan wave spectrum, accretion at the Eddington limit, magnetic field strengths near equipartition, and turbulence energy densities approx. 10% of the total magnetic field energy density, we find that Alfven waves accelerate protons to Lorentz factors approx, equals 10(exp 4) - 10(exp 6) before they escape from the system. Acceleration of electrons by fast mode and whistler waves can produce a nonthermal population of relativistic electrons whose maximum energy is determined by a competition with radiation losses.

Miller, James A.↗
DOE OSTI2023

Flexoelectricity and New Phenomena

It is easy to miss the scientific implications of our recent work on Triboelectricity. Everyone knows that rubbing and contact can produce static electricity; less appreciated is that the thermodynamic driver has been an open question since static electricity was first observed by Thales of Miletus around 585 BC. People think they understand it, for instance one common explanation that can still be found in the current literature is that differences in the work function drives charge transfer, often called the Volta-Helmholtz hypothesis. As summarized in 1967 by Harper, this fails to explain many experimental observations, for instance that charging can occur when two pieces of the same material are rubbed against each other. We are the first to place triboelectricity on a solid foundation rooted in quantum mechanics – the flexoelectric effect. We were able to explain a significant number of previously unexplained phenomena: 1) Bipolar tribocurrents associated with stick-slip, due to the change in sign of the strain gradients. 2) A one-third power scaling of tribocurrents with indentation force. 3) Tribocharging when two identical materials are used, these being due to local variations in the asperities so there are usually local potential differences. 4) Inhomogeneous charging of insulators, related to the statistical nature of asperities. 5) An experimentally observed reversal in the sign of charge transfer for negative and positive curvature, which is related to a change in the sign of the strain gradient. Exploiting our DOE prior funded work on flexoelectricity, we obtained semi-quantitative matching to existing experimental measurements of the surface charge in triboelectric experiments. The work has been well received in the literature. The work has been the focus of a number of popular science press articles, and also formed the basis for a Podcast for children 6-10 “The Rise and Fall of Static Man” posted in December 2019 by NPR as part of their “Wow in the World” series. I was also briefly interviewed by the Chicago PBS station in January 2020. This work are significant for a wide range of energy applications; to quote from an independent source: "Triboelectric power has plenty of potential, says Wenzhuo Wu, an assistant professor of engineering at Purdue. If the basics of static electricity are better understood, we could maximize the efficiency of wind or wave power generators, Wu says. The body's own movement could be used to power internal medical devices. Imagine being able to create a roof shaped to harness the power of a raindrop — the friction of the rain passing over the surface — to generate triboelectricity, powering the building below it." This is the start of new science, some of which we already partially understand such as the role of band bending in charge transfer. We need to understand charge transfer combining elasticity, quantum mechanics, band bending and defect states. These directly involve several of the DOE Grand Challenges: "How do we control material processes at the level of electrons? How do remarkable properties of matter emerge from complex correlations of the atomic or electronic constituents and how can we control these properties? How do we characterize and control matter away—especially very far away— from equilibrium?" I will argue that this work truly falls into the class of disruptive science; it is not just a simple extension, linear science. Not everyone will accept the approach. Since we explain far more about triboelectricity than anyone before, the preponderance of evidence supports the model. The feedback I have received is that many agree with the work, to quote: "The model makes sense, says Michael McAlpine, a professor of engineering at the University of Minnesota. "It's such a simple explanation, I was surprised I didn't put my finger on that," McAlpine says." The proposal received strong reviews. It was also publicized on the Department of Energy Web Site.

16 TIDAL AND WAVE POWER↗
DOE OSTI2016

Alloying and Defect Control within Chalcogenide Perovskites for Optimized Photovoltaic Application

Through density functional theory calculations, we show that the alloy perovskite system BaZr 1-x Ti x S 3 (x < 0.25) is a promising candidate for producing high power conversion efficiency (PCE) solar cells with ultrathin absorber layers. To maximize the minority carrier lifetime, which is important for achieving high PCE, the defect calculations show that BaZr 1-x Ti x S 3 films should be synthesized under moderate (i.e., near stoichiometric) growth conditions to minimize the formation of deep-level defects. The perovskite BaZrS 3 is also found to exhibit ambipolar self-doping properties, indicating the ability to form homo p–n junctions. However, our theoretical calculations and experimental solid-state reaction efforts indicate that the doped perovskite BaZr 1-x Ti x S 3 (x > 0) may not be stable under thermal equilibrium growth conditions. Calculations of decomposition energies suggest that introducing compressive strain may be a plausible approach to stabilize BaZr 1-x Ti x S 3 thin films.

14 SOLAR ENERGY↗
DOE OSTI2024

Aspects of Spodumene Lithium Extraction Techniques

Lithium (Li), a leading cathode material in rechargeable Li-ion batteries, is vital to modern energy storage technology, establishing it as one of the most impactful and strategical elements. Given the surge in the electric car market, it is crucial to improve lithium recovery from its rich mineral deposits using the most effective extraction technique. In recent years, both industry and academia have shown significant interest in Li recovery from various Li-bearing minerals. Of these, only extraction from spodumene has established a reliable industrial production of Li salts. The current approaches for cracking of the naturally occurring, stable α-spodumene structure into a more open structure—β-spodumene—involve the so-called decrepitation process that takes place at extreme temperatures of ~1100 °C. This conversion is necessary, as β-spodumene is more susceptible to chemical attacks facilitating Li extraction. In the last several decades, many techniques have been demonstrated and patented to process hard-rock mineral spodumene. The objective of this review is to present a thorough analysis of significant findings and the enhancement of process flowsheets over time that can be useful for both research endeavors and industrial process improvements. The review focuses on the following techniques: acid methods, alkali methods, carbonate roasting/autoclaving methods, sulfuric acid roasting/autoclaving methods, chlorinating methods, and mechanochemical activation. Recently, microwaves (MWs), as an energy source, have been employed to transform α-spodumene into β-spodumene. Considering its energy-efficient and short-duration aspects, the review discusses the interaction mechanism of MWs with solids, MW-assisted decrepitation, and Li extraction efficiencies. Finally, the merits and/or disadvantages, challenges, and prospects of the processes are summarized.

25 ENERGY STORAGE↗
DOE OSTI2018

Energy production from waste: Evaluation of anaerobic digestion and bioelectrochemical systems based on energy efficiency and economic factors

Anaerobic digesters (AD) and bioelectrochemical systems (BES) are becoming increasingly popular technologies for the generation of renewable energy from wastes. Synergies between these technologies exist, however, configurations to couple them have been insufficiently investigated. This study compares the theoretical energy efficiencies of converting waste directly into electricity, using AD and BES alone and in various combinations. This study reviews the experimentally demonstrated energy efficiencies reported in the literature with comparisons to the maximum theoretical efficiencies, considering thermodynamic limits. Acetate is used as an ideal substrate for theoretical calculations, whereas complex wastes are used for extended analyses of practical efficiencies. In addition, to evaluate the economic potential of this technology, a brief case study was conducted using the Oak Ridge National Laboratory (ORNL) water resource recovery facility (WRRF). Sensitivity analysis was performed on several parameters in the economic model. The results of this study indicate the combined Anaerobic Digester/Microbial Electrolysis Cell (ADMEC) process may be the best path forward due to the high energy efficiency, combined with potential economic benefits, but is not at commercial readiness. We estimate energy efficiencies of 52.9% and 45.6% for the ADMEC process, using current state-of-the-technology, for converting food waste and sewage sludge to a CH 4 /H 2 mix, respectively. Finally, this study concludes with a discussion of new strategies to improve the energy efficiency of AD and BES processes.

30 DIRECT ENERGY CONVERSION↗