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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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DOE OSTI2022

Status Report 2: Advanced Nuclear Reactors Utilized for Synthetic Fuel Creation

Synthetic fuels (synfuels) are hydrocarbon fuels that source energy from electricity. Synfuels have the potential to significantly reduce greenhouse gas emissions throughout the transportation sector. To achieve this substantial reduction in greenhouse gas emissions, the electricity must be sourced from zero- or near-zero-carbon fuel sources such as solar, wind, hydroelectricity, and nuclear power. Synfuels are produced from a combination of carbon and hydrogen sources. Hydrogen can be sourced from water electrolysis with near-zero-carbon electricity and heat (e.g., nuclear), while carbon dioxide can be sourced from ethanol and ammonia plants. In the hydrocarbon fuel synthesis process, hydrogen and carbon dioxide can be reacted to produce carbon monoxide and water, via the so-called reverse watergas shift reaction. Carbon monoxide can then react with additional hydrogen to form hydrocarbons, with carbon chains ranging from C1–C30 in the reaction known as the Fischer-Tropsch (F-T) synthesis reaction. The synthesized hydrocarbon molecules can then be hydro-processed with additional hydrogen and distilled into different carbon chain lengths so as to be compatible with existing conventional gasoline, jet, and diesel fuels. Carbon-free synfuel production comes with a “green premium” over the manufacture of identical products via conventional fossil fuels. Reports from Argonne National Laboratory (ANL) reveal that hydrogen costs dominate the cost of carbon-free synfuel production. This suggests that for the cost of green synfuel to approach that of conventional petroleum fuel, the cost of hydrogen must be approximately $\$1$/kg. Of the primary low-carbon energy sources, only nuclear carries the potential to produce hydrogen at below $\$2$/kg. (Still a bit above the lofty $\$1$/kg goal, but perhaps manageable). To further identify the potential for creating low-cost synfuels capable of competing with legacy technologies, the Department of Energy Office of Nuclear Energy has funded a multi-program, multi-lab effort among ANL, Idaho National Laboratory (INL), the Integrated Energy Systems (IES) program, and the Light Water Reactor Sustainability (LWRS) program. This collaboration effort will determine the possibility of using current and next generation nuclear reactors to create low-cost carbon-free synfuels for sale in the U.S. energy and commodities market.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Building Resilience with Distributed Wind

Distributed wind has several properties that can increase resilience of local electric systems. One of the biggest benefits distributed wind provides is the ability to provide power locally without importing fuel and in areas where solar resources are not adequate. In this way, it can be used to offset fossil fuel consumption and support local backup power needs in the case of a wider grid outage. This fact sheet provides an overview of this and other ways that distributed wind supports resilience.

17 WIND ENERGY↗
DOE OSTI2017

Solar to fuels conversion technologies: a perspective

To meet increasing energy needs, while limiting greenhouse gas emissions over the coming decades, power capacity on a large scale will need to be provided from renewable sources, with solar expected to play a central role. While the focus to date has been on electricity generation via photovoltaic (PV) cells, electricity production currently accounts for only about one-third of total primary energy consumption. As a consequence, solar-to-fuel conversion will need to play an increasingly important role and, thereby, satisfy the need to replace high energy density fossil fuels with cleaner alternatives that remain easy to transport and store. The solar refinery concept, in which captured solar radiation provides energy in the form of heat, electricity or photons, used to convert the basic chemical feedstocks CO 2 and H 2 O into fuels, is reviewed as are the key conversion processes based on (1) combined PV and electrolysis, (2) photoelectrochemically driven electrolysis and (3) thermochemical processes, all focused on initially converting H 2 O and CO 2 to H 2 and CO. Recent advances, as well as remaining challenges, associated with solar-to-fuel conversion are discussed, as is the need for an intensive research and development effort to bring such processes to scale.

14 SOLAR ENERGY↗
DOE OSTI2021

Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen

The production of hydrogen fuels, via water splitting, is of practical relevance for meeting global energy needs and mitigating the environmental consequences of fossil-fuel-based transportation. Water photoelectrolysis has been proposed as a viable approach for generating hydrogen, provided that stable and inexpensive photocatalysts with conversion efficiencies over 10% can be discovered, synthesized at scale, and successfully deployed. While a number of first-principles studies have focused on the data-driven discovery of photocatalysts, in the absence of systematic experimental validation, the success rate of these predictions may be limited. We address this problem by developing a screening procedure with co-validation between experiment and theory to expedite the synthesis, characterization, and testing of the computationally predicted, most desirable materials. Here, starting with 70 150 compounds in the Materials Project database, the proposed protocol yielded 71 candidate photocatalysts, 11 of which were synthesized as single-phase materials. Experiments confirmed hydrogen generation and favorable band alignment for 6 of the 11 compounds, with the most promising ones belonging to the families of alkali and alkaline-earth indates and orthoplumbates. This study shows the accuracy of a nonempirical, Hubbard-corrected density-functional theory method to predict band gaps and band offsets at a fraction of the computational cost of hybrid functionals, and outlines an effective strategy to identify photocatalysts for solar hydrogen generation.

08 HYDROGEN↗
DOE OSTI2025

Direct Air Capture and Electromicrobial Production (DAC-EMP) (Final Technical Report for ARPA-E Project)

The collaborative effort of UC Berkeley and GE Vernova (formerly GE Research) aimed to develop an integrated, three-step process to directly capture and convert carbon dioxide (CO 2 ) from ambient air into butanol, a platform molecule for diesel and jet fuels. This new process is intended to address the unmet need for carbon-neutral drop-in substitutes for fossil gasoline, which would substantially reduce the carbon footprint of the transportation sector without requiring significant changes to the nation’s transportation infrastructure. The U.S. alone consumes ~120 billion gallons of gasoline per year, and the use of fossil fuels in transportation accounts for ~30% of U.S. greenhouse gas emissions, a major contribution to the ongoing climate crisis. A successful replacement fuel must therefore be produced in a process that has low carbon emissions over its life cycle while demonstrating both scalability and economic competitiveness. The proposed system is tailorable to a wide range of applications and can establish a viable approach for direct capture and conversion of CO 2 to value-added products with much lower land use compared to a biotechnological process relying on corn-derived glucose.

09 BIOMASS FUELS↗
NASA NTRS1971

What can nuclear energy do for society.

Nuclear fuel is a compact and abundant source of energy. Its cost per unit of energy is less than that of fossil fuel. Disadvantages of nuclear fuel are connected with the high cost of capital equipment required for releasing nuclear energy and the heavy weight of the necessary shielding. In the case of commercial electric power production and marine propulsion the advantages have outweighed the disadvantages. It is pointed out that nuclear commercial submarines have certain advantages compared to surface ships. Nuclear powerplants might make air-cushion vehicles for transoceanic ranges feasible. The problems and advantages of a nuclear aircraft are discussed together with nuclear propulsion for interplanetary space voyages.

Rom, F. E.↗
NASA NTRS2004

Fuels Containing Methane of Natural Gas in Solution

While exploring ways of producing better fuels for propulsion of a spacecraft on the Mars sample return mission, a researcher at Johnson Space Center (JSC) devised a way of blending fuel by combining methane or natural gas with a second fuel to produce a fuel that can be maintained in liquid form at ambient temperature and under moderate pressure. The use of such a blended fuel would be a departure for both spacecraft engines and terrestrial internal combustion engines. For spacecraft, it would enable reduction of weights on long flights. For the automotive industry on Earth, such a fuel could be easily distributed and could be a less expensive, more efficient, and cleaner-burning alternative to conventional fossil fuels. The concept of blending fuels is not new: for example, the production of gasoline includes the addition of liquid octane enhancers. For the future, it has been commonly suggested to substitute methane or compressed natural gas for octane-enhanced gasoline as a fuel for internal-combustion engines. Unfortunately, methane or natural gas must be stored either as a compressed gas (if kept at ambient temperature) or as a cryogenic liquid. The ranges of automobiles would be reduced from their present values because of limitations on the capacities for storage of these fuels. Moreover, technical challenges are posed by the need to develop equipment to handle these fuels and, especially, to fill tanks acceptably rapidly. The JSC alternative to provide a blended fuel that can be maintained in liquid form at moderate pressure at ambient temperature has not been previously tried. A blended automotive fuel according to this approach would be made by dissolving natural gas in gasoline. The autogenous pressure of this fuel would eliminate the need for a vehicle fuel pump, but a pressure and/or flow regulator would be needed to moderate the effects of temperature and to respond to changing engine power demands. Because the fuel would flash as it entered engine cylinders, relative to gasoline, it would disperse more readily and therefore would mix with air more nearly completely. As a consequence, this fuel would burn more nearly completely (and, hence, more cleanly) than gasoline does. The storage density of this fuel would be similar to that of gasoline, but its energy density would be such that the mileage (more precisely, the distance traveled per unit volume of fuel) would be greater than that of either gasoline or compressed natural gas. Because the pressure needed to maintain the fuel in liquid form would be more nearly constant and generally lower than that needed to maintain compressed natural gas in liquid form, the pressure rating of a tank used to hold this fuel could be lower than that of a tank used to hold compressed natural gas. A mixture of natural gas and gasoline could be distributed more easily than could some alternative fuels. A massive investment in new equipment would not be necessary: One could utilize the present fuel-distribution infrastructure and could blend the gasoline and natural gas at almost any place in the production or distribution process - perhaps even at the retail fuel pump. Yet another advantage afforded by use of a blend of gasoline and natural gas would be a reduction in the amount of gasoline consumed. Because natural gas costs less than gasoline does and is in abundant supply in the United States, the cost of automotive fuel and the demand for imported oil could be reduced.

Sullivan, Thomas A.↗
DOE OSTI2016

Biomass conversion to produce hydrocarbon liquid fuel via hot-vapor filtered fast pyrolysis and catalytic hydrotreating

Lignocellulosic biomass conversion to produce biofuels has received significant attention because of the quest for a replacement for fossil fuels. Among the various thermochemical and biochemical routes, fast pyrolysis followed by catalytic hydrotreating is considered to be a promising near-term opportunity. This paper reports on experimental methods used 1) at the National Renewable Energy Laboratory (NREL) for fast pyrolysis of lignocellulosic biomass to produce bio-oils in a fluidized-bed reactor and 2) at Pacific Northwest National Laboratory (PNNL) for catalytic hydrotreating of bio-oils in a two-stage, fixed-bed, continuous-flow catalytic reactor. The configurations of the reactor systems, the operating procedures, and the processing and analysis of feedstocks, bio-oils, and biofuels are described in detail in this paper. We also demonstrate hot-vapor filtration during fast pyrolysis to remove fine char particles and inorganic contaminants from bio-oil. Representative results showed successful conversion of biomass feedstocks to fuel-range hydrocarbon biofuels and, specifically, the effect of hot-vapor filtration on bio-oil production and upgrading. As a result, the protocols provided in this report could help to generate rigorous and reliable data for biomass pyrolysis and bio-oil hydrotreating research.

09 BIOMASS FUELS↗
NASA NTRS1982

Fuel quality-processing study. Volume 1: Overview and results

The methods whereby the intermediate results were obtained are outlined, and the evaluation of the feasible paths from liquid fossil fuel sources to generated electricity is presented. The segments from which these paths were built are the results from the fuel upgrading schemes, on-site treatments, and exhaust gas treatments detailed in the subsequent volumes. The salient cost and quality parameters are included.

Jones, G. E., Jr.↗
DOE OSTI2022

Fuel Effects on Multimode Engine Operation (Sandia National Laboratories) (DOE VTO Annual Progress Report for FY21)

In total, light-duty vehicles in the United States travel on the order of 3 trillion miles annually, providing tremendous societal and personal benefits. However, the environmental burden is excessive, prompting Co-Optimization of Fuel and Engines (Co-Optima) program efforts to provide the science needed to increase engine efficiency and produce non-fossil fuels with reduced greenhouse gas emissions. Boosted spark-ignition (SI) engines provide high power density by offering high loads and engine speeds, making them light-weight and attractive for light-duty vehicles. Unfortunately, the engine efficiency drops off at lower loads and speeds, where the engine spends most time during typical driving. Multimode SI engines can use a more efficient advanced lean combustion mode at lower loads and speeds, while reverting to boosted SI under high-load conditions. Within Co-Optima, multiple advanced lean combustion modes have been explored; these include stratified-charge SI, pre-chamber lean SI, and advanced compression ignition (ACI) techniques such as spark-assisted compression ignition (SACI). For these combustion modes, focus has been on determining fuel properties that enable higher engine efficiency, clean and stable combustion, and effective exhaust aftertreatment. This report highlights recent efforts funded by the Vehicle Technologies Office at multiple National Laboratories that supported the multimode project in Co-Optima. It also includes a brief summary of biofuel production research funded by the Bioenergy Technologies Office.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Design optimization of an ethanol heavy-duty engine using design of experiments and bayesian optimization

Diesel-fueled engines still hold a large market share in the medium and heavy-duty transportation sector. However, the increase in fossil fuel prices and the strict emission regulations are leading engine manufacturers to seek cleaner alternatives without a compromise in performance. Alcohol-based fuels, such as ethanol, offer a promising alternative to diesel fuel in meeting regulatory demands. Ethanol provides cleaner combustion and lower levels of soot due to its chemical properties, in particular its lower level of carbon content. In addition, the stoichiometric operating conditions of alcohol fueled engines enable the mitigation of NOx emissions in aftertreatment stage. With the promise of retrofitting diesel engines to run on ethanol to reduce emissions, the thermal efficiency of these engines remains the primary optimization target. In order to find the optimal ethanol-fueled engine design that maximizes the thermal efficiency, a large design space needs to be investigated using engineering tools. In this study, previous research by the authors on optimizing the design of a single-cylinder ethanol-fueled engine was extended to explore the design space for a heavy-duty multi-cylinder engine configuration. A heavy-duty engine setup with multiple operating conditions at different engine speeds and loads were considered. A design optimization analysis was performed to identify the potential designs that maximize the indicated thermal efficiency in an ethanol-fueled compression ignition engine. First, a computational fluid dynamics (CFD) model of the engine was validated using experimental data for four drive cycle points. Using a design of experiments (DoE) approach and a parameterized piston bowl geometry, the model was then exercised to explore the relationship among geometric features of the piston bowl and spray targeting angle and indicated thermal efficiency across all tested operating conditions. After evaluating 165~candidate designs, a piston bowl geometry was identified that yielded an increase between 1.3 to 2.2 percentage points in indicated thermal efficiency for all tested conditions, while satisfying the operational design constraints for peak pressure and maximum pressure rise rate. The increased performance was attributed to enhanced mixing that led to the formation of a more homogeneous distribution of in-cylinder temperature and equivalence ratio, higher combustion temperatures, and shorter combustion duration. Finally, a Bayesian optimization (BOpt) analysis was employed to find the optimal piston bowl geometry with a fixed spray injector angle for one of the operating conditions. Using BOpt, a piston candidate was identified that resulted in a 1.9~percentage point increase in thermal efficiency from the baseline design, yet only required 65\% of the design samples investigated using the DoE approach.

Tekgul, Bulut↗
DOE OSTI2019

Fuel Cell Backup Power System for Grid Service and Microgrid in Telecommunication Applications

This paper presents the feasibility and economics of using fuel cell backup power systems in telecommunication cell towers to provide grid services (e.g., ancillary services, demand response (DR)) as well as power for cell towers during emergency conditions. This study evaluates the strategic integration of clean, efficient, and reliable fuel cell systems with the grid for improved economic benefits. The backup systems can potentially enhance capabilities through information exchange with the power grid, which adds value for grid services that depend on location and time. The economic analysis focused on the potential revenue for distributed telecommunications fuel cell backup units to provide value-added power supply. This paper includes case studies on current fuel cell backup power locations and regional grid service programs. The grid service benefits and system configurations for different operation modes provide opportunities for expanding backup fuel cell applications responsive to grid needs. The objective of this work is primarily on how fuel cells can become a significant part of the telecom backup power fleet to reduce system costs, environmental impact, and dependence on fossil fuels, while ensuring continuity of indispensable service for mobile users. The study identifies different fuel cell applications and nano/microgrid approaches for an extensive network of fuel cells as distributed energy resources. The possibilities of various application scenarios extend to fuel cell technologies and microgrids for reliable power supply.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Hydrogen Storage in Metal-Organic Frameworks

The design and characterization of new materials for hydrogen storage is an important area of research, as the ability to store hydrogen at lower pressures and higher temperatures than currently feasible would lower operating costs for small hydrogen fuel cell vehicles. In particular, metal-organic frameworks (MOFs) represent promising materials for use in storing hydrogen in this capacity. MOFs are highly porous, three-dimensional crystalline solids that are formed via linkages between metal ions (e.g., iron, nickel, and zinc) and organic molecules. MOFs can store hydrogen via strong adsorptive interactions between the gas molecules and the pores of the framework, providing a high surface area for gas adsorption and thus the opportunity to store hydrogen at significantly lower pressures than with current technologies. By lowering the energy required for hydrogen storage, these materials hold promise in rendering hydrogen a more viable fuel for motor vehicles, which is a highly desirable outcome given the clean nature of hydrogen fuel cells (water is the only byproduct of combustion) and the current state of global climate change resulting from the combustion of fossil fuels. The work presented in this report is the result of collaborative efforts between researchers at Lawrence Berkeley National Lab (LBNL), the National Institute of Standards and Technology (NIST), and General Motors Corporation (GM) to discover novel MOFs promising for H 2 storage and characterize their properties. Described herein are several new framework systems with improved gravimetric and volumetric capacity to strongly bind H 2 at temperatures relevant for vehicle storage. These materials were rigorously characterized using neutron diffraction, to determine the precise binding locations of hydrogen within the frameworks, and high-pressure H 2 adsorption measurements, to provide a comprehensive picture of H 2 adsorption at all relevant pressures. A rigorous understanding of experimental findings was further achieved via first-principles electronic structure calculations, which also supported synthetic efforts through predictions of additional novel frameworks with promising properties for vehicular H 2 storage. The results of the computational efforts also helped to elucidate the fundamental principles governing the interaction of H 2 with the frameworks, and in particular with exposed metal sites in the pores of these materials. Significant accomplishments from this project include the discovery of a metal-organic framework with a high H 2 binding enthalpy and volumetric capacity at 25 °C and 100 bar, which surpasses the metrics of any other known metal-organic framework. Additionally this material was designed to be extremely cost effective compared to most comparable adsorbents, which is imperative for eventual real-world applications. Progress toward synthesizing new frameworks containing multiple open coordination sites is also discussed, and appears to be the most promising future direction for hydrogen storage in these porous materials.

08 HYDROGEN↗
DOE OSTI2017

Recovery Act – Integrated Pilot-Scale Biorefinery for Producing Ethanol from Hybrid Algae

As a scientific and engineering endeavor, the Algenol IBR Biorefinery project has been a success by almost any measure. The vision for the system evolved significantly over the course of the project, always due to recognized opportunities for improved performance, lower energy consumption, and reduced costs. Our commitment to thorough, realistic, techno-economic and life cycle assessments has been an essential element for system innovation, technology guidance, and change management of the overall facility. The biological tools developed during this program for cyanobacteria are second to none, and are the primary reason for the remarkable improvements in organism performance. The breakthrough was the successful transformation of our most robust wild type organism (AB1) early in 2012. That was followed by a series of improvements over the next several years that produced strains wherein over 80% of the fixed carbon was converted into ethanol. At the same time, our expertise in cultivation, physiology, process engineering, CO2 management, and photobioreactor design and manufacturing grew at a comparable pace. We learned enormous amounts from the various upsets, weather variations, contamination events, and new technology related disappointments. We overcame those challenges to produce fuel grade ethanol with a low carbon footprint, and are within striking distance of economic viability even with the challenges of low fossil fuel prices.

09 BIOMASS FUELS↗
DOE OSTI2021

Collaboration to Enable Higher Penetrations of Solar Power Generation Using the Natural Gas Pipeline System for Energy Storage (CRADA CRD-14-00567)

This unique project explored one possible solution for photovoltaic (PV) generation to become a reliable and dispatchable energy resource similar to conventional baseload fossil fuel electricity generation. Solar power generation is a renewable resource that varies naturally from day-to-day as well as seasonally. To use solar power as a baseload generation asset requires a flexible storage system that can recover power on both a daily and seasonal basis. Converting solar power to natural gas (i.e., first to hydrogen and then to methane) and having access to utility-scale storage in the natural gas network has the potential to make solar power generation a baseload asset. This will: 1) Increase the net energy yield from solar resources by increasing the effective capacity factor and maximize the energy produced during the assets’ lifetimes. 2) Improve the economics of energy storage for solar project developers, thereby accelerating the deployment of new solar generation. 3) Reduce the impact of increasing solar penetration on congestion of the electrical transmission system by shifting power delivery in time using the gas pipeline network for long-duration storage. 4) Reduce the impact of increasing solar generation on electrical distribution system control. 5) Offer alternative revenue sources for solar power generation beyond electricity including: hydrogen (H 2 ) production for stationary fuel cells and fuel cell electric vehicles, conversion of carbon dioxide (CO 2 ) to methane (CH 4 ) as a direct drop-in replacement for fossil natural gas use, and transmission as high volumetrically-dense CH 4 for use in transportation, heating, power generation, chemical production or conversion back to H2 at the point of use. Additional work was added to this CRADA in modification 4 having a primary objective to characterize the performance of the electrolyzer, Southern California Gas (SoCalGas) bioreactor and balance of plant to demonstrate production of renewable natural gas (RNG) from renewable H 2 and CO 2 using single-cell, self-replicating organisms. The additional scope of work allowed researchers to ramp up gas flowrates and pressure of the system over the designed range to grow the cells and begin to show the load-following capabilities of this anaerobic gas fermentation process. These activities enabled the research team to predict system performance at much greater scales; namely 10’s of mega-watts (MWs) of electrolyzer nameplate capacity.

14 SOLAR ENERGY↗
NASA NTRS2007

Space and Terrestrial Power System Integration Optimization Code BRMAPS for Gas Turbine Space Power Plants With Nuclear Reactor Heat Sources

In view of the difficult times the US and global economies are experiencing today, funds for the development of advanced fission reactors nuclear power systems for space propulsion and planetary surface applications are currently not available. However, according to the Energy Policy Act of 2005 the U.S. needs to invest in developing fission reactor technology for ground based terrestrial power plants. Such plants would make a significant contribution toward drastic reduction of worldwide greenhouse gas emissions and associated global warming. To accomplish this goal the Next Generation Nuclear Plant Project (NGNP) has been established by DOE under the Generation IV Nuclear Systems Initiative. Idaho National Laboratory (INL) was designated as the lead in the development of VHTR (Very High Temperature Reactor) and HTGR (High Temperature Gas Reactor) technology to be integrated with MMW (multi-megawatt) helium gas turbine driven electric power AC generators. However, the advantages of transmitting power in high voltage DC form over large distances are also explored in the seminar lecture series. As an attractive alternate heat source the Liquid Fluoride Reactor (LFR), pioneered at ORNL (Oak Ridge National Laboratory) in the mid 1960's, would offer much higher energy yields than current nuclear plants by using an inherently safe energy conversion scheme based on the Thorium --> U233 fuel cycle and a fission process with a negative temperature coefficient of reactivity. The power plants are to be sized to meet electric power demand during peak periods and also for providing thermal energy for hydrogen (H2) production during "off peak" periods. This approach will both supply electric power by using environmentally clean nuclear heat which does not generate green house gases, and also provide a clean fuel H2 for the future, when, due to increased global demand and the decline in discovering new deposits, our supply of liquid fossil fuels will have been used up. This is expected within the next 30 to 50 years, as predicted by the Hubbert model and confirmed by other global energy consumption prognoses. Having invested national resources into the development of NGNP, the technology and experience accumulated during the project needs to be documented clearly and in sufficient detail for young engineers coming on-board at both DOE and NASA to acquire it. Hands on training on reactor operation, test rigs of turbomachinery, and heat exchanger components, as well as computational tools will be needed. Senior scientist/engineers involved with the development of NGNP should also be encouraged to participate as lecturers, instructors, or adjunct professors at local universities having engineering (mechanical, electrical, nuclear/chemical, and/or materials) as one of their fields of study.

Juhasz, Albert J.↗
DOE OSTI2024

Enhancing Electrochemical CO2 Conversion by Controlling Electrocatalysts' Structure

Electrochemical reduction of CO2 (CO2R) to valuable, carbon-neutral chemical feedstocks and storable fuels driven by renewable electricity has been recognized as one of the promising pathways to mitigate the greenhouse effect, reduce global demand for fossil fuels, achieve carbon neutrality, and create sustainable energy. Tremendous ongoing efforts have focused on controlling the morphology, composition, structure, size, defects, etc., of the electrocatalysts to improve product selectivity, activity, and durability to approach the feasibility of practical applications (current density higher than 200 mA/cm2 and lifetime ~1,000 hr+). This presentation will discuss how the geometry and surface composition of novel copper- and tin-based catalysts would maximize the CO2 conversion to carbon monoxide and liquid formic acid/formate in both common aqueous H-cell and electrolyzer configurations. Several spectroscopic, microscopic, and electrochemical characterization tools have been utilized to correlate the changes in the structural, physico-chemical, and electronic properties with the catalytic activity. Our work provides additional electrocatalyst design considerations for high-performance CO2 electrolysis.

Nguyen Phan, Thuy Duong↗
DOE OSTI2023

Solar water splitting Pt-nanoparticle photosystem I thylakoid systems: Catalyst identification, location and oligomeric structure

In this study, photosynthetic conversion of light energy into chemical energy occurs in sheet-like membrane-bound compartments called thylakoids and is mediated by large integral membrane protein-pigment complexes called reaction centers (RCs). Oxygenic photosynthesis of higher plants, cyanobacteria and algae requires the symbiotic linking of two RCs, photosystem II (PSII) and photosystem I (PSI), to split water and assimilate carbon dioxide. Worldwide there is a large research investment in developing RC-based hybrids that utilize the highly evolved solar energy conversion capabilities of RCs to power catalytic reactions for solar fuel generation. Of particular interest is the solar-powered production of H 2 , a clean and renewable energy source that can replace carbonbased fossil fuels and help provide for ever-increasing global energy demands. Recently, we developed thylakoid membrane hybrids with abiotic catalysts and demonstrated that photosynthetic Z-scheme electron flow from the light-driven water oxidation at PSII can drive H 2 production from PSI. One of these hybrid systems was created by self-assembling Pt-nanoparticles (PtNPs) with the stromal subunits of PSI that extend beyond the membrane plane in both spinach and cyanobacterial thylakoids. Using PtNPs as site-specific probe molecules, we report the electron microscopic (EM) imaging of oligomeric structure, location and organization of PSI in thylakoid membranes and provide the first direct visualization of photosynthetic Z-scheme solar water-splitting biohybrids for clean H 2 production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗