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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 415 records · Page 23

Air-breathing aqueous sulfur rechargeable batteries

An electrochemical apparatus includes a catholyte, an anolyte, and a separator disposed between the catholyte and the anolyte. The catholyte includes metal salt dissolved in water, thereby providing at least one metal ion. The anolyte includes a polysulfide solution. The separator is permeable to the at least one metal ion. During a charging process of the electrochemical apparatus, oxygen is generated in the catholyte, the polysulfide in the polysulfide solution undergoes a reduction reaction in the anolyte, and the at least one metal ion moves from the catholyte to the anolyte. During a discharging process of the apparatus, the oxygen is consumed in the catholyte, the polysulfide oxidizes in the anolyte, and the at least one metal ion moves from the anolyte to the catholyte.

Su, Liang↗

Proton-conducting oxides for energy conversion and storage

Proton-conducting oxides are a class of solid-state ion-conducting ceramic materials that demonstrate significant hydrogen ion (proton) conductivity at intermediate temperatures (e.g., 300–700 °C). They are garnering significant attention due to several unique characteristics that distinguish them from both higher temperature oxygen ion conducting oxides and lower temperature proton-conducting polymers. By enabling proton-mediated electrochemistry under both dry and wet environments at moderate temperatures, protonic ceramics provide unique opportunities to enhance or synergize a diverse range of complementary electrochemical and thermochemical processes. Because of this potential, significant efforts have been devoted to advancing numerous energy-related applications using these materials. This review aims to comprehensively summarize these applications and analyze the most up-to-date and future developments of proton-conducting oxides. We aim to bring together this diverse subject matter by integrating the fundamentals of proton-conducting oxides with application-oriented insights. We begin with a historical roadmap, followed by a basic overview of the materials, theories and fundamentals, and fabrication and processing technologies underlying the field. The central section of our review summarizes major applications and developments of proton-conducting ceramics, ranging from maturing applications approaching commercialization to embryonic technologies just now emerging from the lab. These include protonic ceramic fuel cells, protonic ceramic electrolysis cells, reversible protonic ceramic electrochemical cells, protonic ceramic membrane reactors, and protonic ceramic electrochemical reactors. For each application, we analyze both the prospects and challenges and offer recommendations for future research directions so that tomorrow's researchers can continue to advance the development and commercialization of these fascinating materials.

Duan, Chuancheng (ORCID:0000000218261415)↗

Hybrid air revitalization system for a closed ecosystem

An air-revitalization concept is presented with experimental results to assess the practicality and applicability of the proposed system to extended-duration manned missions. The Hybrid Air Revitalization System (HARS) uses plants in a habitat to remove metabolic CO2 and moisture and produce oxygen and food. CO2 and O2 partial pressures, temperature, and humidity are regulated by means of electrochemical CO2 and O2 chemical separators and a moisture condenser separator. A cell-test facility is described in which the electrochemical CO2 removal processes are investigated with and without using H2. Performance is optimized by using 25-30 percent Teflon in the gas-diffusion-type electrode, employing a thin electrolyte matrix, operating at higher temperatures and lower dew points. The HARS concept is found to be a feasible approach to the electrochemical separation of CO2 and O2.

Lee, M. G.↗

A Perspective on Solar-Driven Electrochemical Routes for Sustainable Methanol Production

The transition towards sustainable and renewable energy sources is imperative in mitigating the environmental impacts of escalating global energy consumption. Methanol, with its versatile applications and potential as a clean energy carrier, a precursor chemical, and a valuable commodity, emerges as a promising solution within the realm of renewable energy technologies. This work explores the integration of electrochemistry with solar power to drive efficient methanol production processes, focusing on electrochemical reduction (ECR) of CO 2 and methane oxidation reaction (MOR) as pathways for methanol synthesis. Through detailed analysis and calculations, we evaluate the thermodynamic limits and realistic solar-to-fuel (STF) efficiencies of ECR and MOR. Our investigation encompasses the characterization of multijunction light absorbers, determination of thermoneutral potentials, and assessment of STF efficiencies under varying conditions. We identify the challenges and opportunities inherent in both ECR and MOR pathways, shedding light on catalyst stability, reaction kinetics, and system optimization, thereby providing insights into the prospects and challenges of solar-driven methanol synthesis, offering a pathway towards a cleaner and more sustainable energy future.

30 DIRECT ENERGY CONVERSION↗

C-C Coupling Mechanism on Cu(100) A Molecular Dynamics Study at 298K

The electrochemical reduction of carbon dioxide (CO2) into valuable fuels such as C1 (syngas, methane) and C2 (ethylene, ethanol) products is a key strategy for achieving a carbon-neutral economy. Computational studies of C-C coupling, a critical step in CO2 reduction, are essential for designing more efficient catalysts. However, simulating these processes under realistic electrochemical conditions, including temperature and solvent effects, is computationally demanding. In this work, we develop a machine learning-based atomistic potential to study CO2 reduction on Cu(100) surfaces, accounting for temperature and explicit water solvent effects. We compute thermodynamic free energies of the possible C-C coupling pathways, CO*+CO*→OCCO*, CO*+CHO*→OCCHO*, CO*+COH*→OCCOH*, CHO*+COH*→OHCCOH*, COH*-COH*→HOCCOH*, and CHO*-CHO*→OHCCHO*. Our results quantify the thermodynamic tendencies of these reactions and reveal that, in addition to the well-established CO* + CO* → OCCO* pathway, CHO* is a critical intermediate in the formation of C2 products on Cu(100). Furthermore, we demonstrate that the machine learning approach offers a cost-efficient framework for studying CO2 reduction on diverse catalysts under realistic electrochemical conditions.

machine learning↗

Low-Temperature Electrochemical Wastewater Oxidation

Here, we demonstrated the Clean Sustainable Electrochemical Treatment (CleanSET) process that enables the distributed clean-up of biomass-derived wastewater while simultaneously generating hydrogen (H 2 ). The specific goal of this project is to 1) demonstrate the selective removal of chemical oxygen demand (COD), total carbon (TC), and total nitrogen (TN) of different wastewaters, 2) optimize the electrode composition to improve electrochemical performance, and 3) perform a high-level techno-economic analysis to obtain levelized costs of disposal (LCOD) .

08 HYDROGEN↗

In-Situ Electrochemical Generation and Utilization of Hydrogen Peroxide for Disinfection

Disinfection needs to meet personal hygiene requirements at the International Space Station (ISS) is currently accomplished through the use of pre-packaged, disposable, wetted wipes, which represent an appreciable carry-along mass and disposal burden. However, as human missions travel further into the solar system the availability of resources to resupply will be diminished. Therefore, next-generation system should use onboard utilities to create on demand disinfectants, thereby reducing the dependence on earth-based supplies and further eliminating storage and disposal problems. Accordingly, we are developing an in-situ approach to electrochemically generate hydrogen peroxide disinfecting solution utilizing onboard life support supplies (Air/Water) to neutralize surface microorganisms present in closed living systems. As discussed within our 2019 and 2021 ICES papers (ICES-2019-38 and ICES-2021-273), we have continued to improve our TRL by scaling the electrochemical generation production process and validating the system in a zero-gravity parabolic loop flight test. In this paper we will demonstrate a system that can achieve over 1 L of >2 w/w% peroxide per day with DI water and air feeds. The hydrogen peroxide solutions generated were sent to NASA for microbial control property characterization. Overall, the electrochemical peroxide generation system offers a more economical and practical alternative, with the disinfectant being generated on demand and in-situ (using available life support materials of Air/Water); and applied to reusable cloths. The specific application of interest to this program is crew contact surfaces in space vehicles, but this technology could be utilized for waste water disinfection, heat exchanger biofouling remediation, and laundry applications. The peroxide generation system will also be able to address Earth-based needs in various settings such as field hospitals, restaurants, military, warehouses, movie theatres, among many others.

hydrogen peroxide↗

Experimental Protocols for Studying Organic Non-aqueous Redox Flow Batteries

We report that Redox flow batteries (RFBs) are promising devices for grid-scale energy storage due to the decoupling of power and energy, which can be independently scaled by the electrode area and storage tank size, respectively. To date, only aqueous RFBs, such as the vanadium RFB, have been implemented commercially. Nevertheless, the limited energy densities and high-cost materials may preclude their wider market penetration. Organic non-aqueous redox-flow batteries (O-NRFBs), which utilize redox-active organic molecules (ROMs), have been offered as an attractive alternative. Many possible advantages include the use of earth-abundant elements (C, H, N, O, S, F), wherein the ROMs can be prepared from low-cost and sustainable materials. Additionally, a large variety of electroactive moieties are accessible as building blocks, providing a synthetic platform to tune the properties of ROMs through rational design. As a consequence, the development of novel ROMs has attracted researchers with diverse backgrounds, prompting remarkable innovations in the past decade. However, consistency in experimental protocols (e.g., electrochemical methods, cycling stability, experimental conditions) has not coincided with this uptick in research, leading to sometimes ambiguous and incomparable results. This is further convoluted by the complexity innate to battery development, such as cell design, detection, and characterization of reactions and active components. The O-NRFB application imposes stringent requirements on the physical or/and chemical processes involved in electrochemical cycling. Yet such considerations are often overlooked. Further, while quantum mechanical calculations provide a convenient tool for evaluating and selecting ROM candidates, this simulation is not always performed. Thus, in this Energy Focus, we detail a means to standardize experimental protocols for studies of O-NRFBs and suggest practices to facilitate fundamental understanding and development of ROMs.

25 ENERGY STORAGE↗

Theoretical and experimental research in space photovoltaics

Theoretical and experimental research is outlined for indium phosphide solar cells, other solar cells for space applications, fabrication and performance measurements of shallow homojunction InP solar cells for space applications, improved processing steps and InP material characterization with applications to fabrication of high efficiency radiation resistant InP solar cells and other opto-electronic InP devices, InP solar cells fabricated by thermal diffusion, experiment-based predicted high efficiency solar cells fabricated by closed-ampoule thermal diffusion, radiation resistance of diffused junction InP solar cells, chemical and electrochemical characterization and processing of InP diffused structures and solar cells, and progress in p(+)n InP diffused solar cells.

Faur, Mircea↗

Probing Dynamic Phase Changes in Electrochemical Systems with Cryogenic and in Situ Analytical Electron Microscopy (Final Technical Report)

In this project, we focus on the advancement of our newly developed, unique in situ and cryogenic analytical electron microscopy (AEM) techniques and the development of additional high-end capabilities to quantitatively elucidate the mechanisms of resistive state changes in solid-state electrochemical materials for non-volatile, neuromorphic memory. The objectives of the proposed research are (1) to characterize and elucidate the mechanisms by which electronic state changes occur in various solid-state devices to build guiding principles for electrochemically activated smart materials; (2) to advance our understanding of such mechanisms by coupling cryogenic and in situ techniques to control kinetics of the observed mechanisms while mitigating probe-induced damage; and (3) to utilize additional advanced techniques including electron-beam induced current and quantum mechanical simulations in order to identify the underlying fundamental science of such processes, including roles of defect formation and its effect on phase nucleation, as well as dynamics of these processes in the electrochemical systems at the nanometer scale.

25 ENERGY STORAGE↗

Microstructural, Corrosion, and Mechanical Characterization of Friction Stir Welded Al 6022-to-ZEK100 Mg Joints

Friction stir welded (FSW) aluminum–magnesium lightweight vehicle joints have gained significant interest due to their high strength-to-weight ratio. In this work, the corrosion resistance of this material is analyzed through electrochemical tests, which include open circuit potential (OCP) inspection and potentiodynamic polarization (PD) scanning. Weight loss measurements tested the corrosion rate of the FSW weld through cyclic corrosion testing (CCT) according to the standard SAEJ 2334. Mechanical properties were also investigated, including lap-shear strength, micro- and nano-hardness mapping, and true stress–strain curves as a function of local processing history. The electrochemical results indicate that the center weld zone’s corrosion property stays between the two base alloys. Indentation-based testing demonstrated that the weld zone behaves differently from base alloys. Lap shear strength surprisingly did not drop much even after eight weeks of cyclic corrosion tests, indicating that the joint did not allow any ingress of the electrolyte.

36 MATERIALS SCIENCE↗

Photoelectrochemical Hydride Generation with Oxide-Coated Silicon

Photoelectrochemical generation of a potent organic hydride donor at silicon is demonstrated. Two different oxide-coated p-type silicon photoelectrodes reduced 1,2,3,5,6-pentamethyl-1H-benzo[d]imidazol-3-ium hexafluorophosphate, [PMBI][PF 6 ], to its corresponding imidazole hydride, PMBIH, in the presence of a proton source. Under 1 sun illumination, in acetonitrile with 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) buffer, the p-Si photoelectrodes convert PMBI + to PMBIH with good Faradaic efficiencies (FEs): 78% FE at −2.3 V vs Fc +/0 for Si|TiO 2 and 83% FE at −2.6 V vs Fc +/0 for Si|SiO 2 (where Si|SiO 2 represents silicon coated with an oxide layer). Generally, the Si|TiO 2 catalyzed the reaction at milder potentials than Si|SiO 2 , but the Si|SiO 2 had better selectivity for PMBIH generation over H 2 evolution than Si|TiO 2 . In light of prior studies of these photoelectrodes, the differences in selectivity and onset potential suggest a difference in mechanism, likely an outer-sphere electron transfer (ET) mechanism at the SiO 2 surface and potentially a proton-coupled ET process at the TiO 2 surface. To help understand reaction efficiency and identify areas of improvement, a thermochemical model for understanding net hydride transfer from the semiconductor to an acceptor in solution was developed. We find that the reactions in the present system are quite downhill. The high overpotentials (even while maintaining selectivity over H 2 evolution) emphasize the need for improved catalysts. Furthermore, this approach to evaluate the thermodynamics of net hydride transfer should be broadly valuable for electrochemical and photoelectrochemical processes.

14 SOLAR ENERGY↗

Nanostructured, Targeted Layered Metal Oxides as Active and Selective Heterogeneous Electrocatalysts for Oxygen Evolution

Oxygen evolution reaction (OER) is an important chemical transformation that governs the performance of technologically relevant energy conversion and storage processes, such as electrochemical water splitting in electrolyzers and metal-air batteries. This reaction involves the evolution of oxygen gas from (i) oxygen ions formed from water splitting at high temperatures, (ii) oxygen containing species (i.e., OH, OOH) formed from water splitting at low temperatures, and (iii) metal-oxide discharge products (M x O 2 ) in metal-air batteries. One of the main challenges with OER is that it is catalyzed at low temperatures by noble metal-based electrocatalysts, which are expensive (making this process economically unviable), or at high temperatures by metal-oxide based electrocatalysts that are inefficient and lead to high overpotential losses. Our preliminary results, as well as other results in the literature, show that non-noble metal-based oxide electrocatalysts with layered structures, known as nickelate oxides, exhibit promising OER activity. Nickelate oxides (A 2 MO 4+δ ) belong to the Ruddlesden-Popper series composed of alternating perovskite-like and rocksalt-like layers. They are promising OER electrocatalysts due to their high oxygen transport/exchange properties compared to the state-of-the-art perovskite-type oxides. Unfortunately, these materials are fairly unexplored and little is known about the properties that govern their OER activity. Our preliminary studies, where we combine density functional theory (DFT) calculations, selective synthesis and characterization, show that engineering their nanocrystalline structure can significantly impact their catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrification and decarbonization of spent Li-ion batteries purification by using an electrochemical membrane reactor

The expanding electric vehicle market brings with it exponential growth in the use of lithium (Li)-ion batteries (LIB) for which a wave of spent LIB is expected to come within the next 5 to 10 years. Due to the economic and strategic value imbedded within the metals contained in LIB, different recycling technologies, including hydrometallurgy, pyrometallurgy and direct recycling, are under development. Being different from previous hydrometallurgical methods, which may have high chemical consumption and negative environmental impact, an electrochemical membrane reactor is designed and validated for the first time, to electrify and decarbonize the impurity removal process. This reactor electroplates copper (Cu) and electrochemically precipitates aluminum (Al) and iron (Fe) from simulated spent LIB leachates, by consuming only air, water, and electricity, and the impurities are reduced to <1 ppm. The purified leachate maintains 99.5 % of the nickel (Ni), 95.4 % of the cobalt (Co) and 99.14 % of manganese (Mn) from the original leachate solution, and then can be directly applied for cathode precursor synthesis. Additionally, the purification process doesn’t introduce extra impurity, and the reactor restoration process generates valuable by-product hydro sulfate (H2SO4). This electrochemical process can reduce the cost, because of the much less chemical consumption and the valuable by-product generation, and mitigates the waste emissions, because of no extra impurity introduced and no greenhouse gas (GHG) produced. In conclusion, the chemical precipitation method uses significant amount of NaOH, which induced GHG emission during the manufacturing process.

25 ENERGY STORAGE↗

Electroanalytical Measurements of Oxide Ions in Molten CaCl 2 on W electrode

The electrochemical interaction of oxide ions with tungsten electrodes in molten calcium chloride (CaCl 2 ) was analyzed by combining electroanalytical techniques with X-ray photoelectron spectroscopy. During a cyclic voltammetry (CV) scan, the oxide ions appear to interact with the tungsten working electrode via a multi-step oxidation and reduction process. The overall redox peaks behave reversibly up to 750 mV s -1 . This electrochemical process enables the oxide ion concentration to be correlated to CV oxidation peaks. Lastly, the resulting correlation agrees well (8.8% difference) with back titration measurements and can be used to monitor oxide content in the salt in real-time during CaCl 2 based pryoprocesses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging Electrons for Electrochemical CO 2 Capture Using a Hemi‐Labile Iron Complex

Climate change, driven by anthropogenic carbon emissions, demands urgent action to prevent a 2050 tipping point. With CO 2 levels at 427 ppm (50% above pre-industrial levels), deploying energy-efficient carbon capture technologies is crucial. Electrochemical carbon capture processes that have been touted to have the potential to meet these needs rely on the applied cell voltage, and electron utilization (CO 2 molecules separated per electron), which has generally been asserted to have a theoretical limit of one. Here, we introduce an electron-leveraging strategy to enhance electron utilization beyond this limit to 1.43 by employing Fe-EDDHA, a redox-active coordination complex having a ligand with multiple hemi-labile coordination sites. The reversibility and robustness of the system were enabled by the efficient prevention of CO 2 reduction upon the introduction of nicotinamide as a guardian of the iron(2+) center. The proof-of-concept cyclic system exhibits a minimum operational energy of 22.6 kJ e mol −1 and an average of 63.7 kJ e mol −1 over 29 cycles, using a simulated flue gas (15% CO 2 ). Our electron-leveraging strategy holds promise for advancing energy-efficient electrochemical carbon capture technologies, and offers an alternative to prevalent redox potential shifting methods proposed to mitigate undesired electron transfer reactions in redox-active materials across diverse operational conditions.

carbon storage↗