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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A Review on Direct Air Capture of Carbon Dioxide: Sorbent Materials, Process Engineering, Industrial Scale-Up, and Future Perspectives

The relentless accumulation of anthropogenic greenhouse gases has driven atmospheric carbon dioxide concentrations to approximately 426 ppm, necessitating the aggressive deployment of negative-emission technologies to achieve net zero by 2050. Direct air capture (DAC) offers a scalable, location-independent approach to atmospheric carbon removal; however, it is fundamentally constrained by the significant thermodynamic barriers associated with capturing CO 2 from ultradilute ambient conditions, requiring minimum thermodynamic energy inputs substantially higher than those for postcombustion point sources. This comprehensive review critically examines the technological landscape of DAC, focusing on the interdependent triad of sorbent material design, contactor engineering, and regeneration thermodynamics. We evaluate the fundamental boundaries of adsorption, emphasizing that an optimal adsorption enthalpy and isosteric heat of adsorption must balance the high CO 2 uptake capacity with the energetic penalties of sorbent regeneration. A systematic, comparative analysis of state-of-the-art sorbents is presented, encompassing mesoporous silicas, zeolites, carbon-based materials (CBMs), metal−organic frameworks (MOFs), porous organic polymers (POPs), and polymeric membranes. Special attention is devoted to surface functionalization strategies, particularly amine grafting and impregnation, which transition capture mechanisms from physisorption to chemisorption to enhance selectivity under ambient moisture and low partial pressures. Furthermore, we assess the operational merits of various reactor configurations, including gas−solid, gas−liquid, and membrane contactors, alongside regeneration cycles such as temperature, vacuum, pressure, and moisture swing adsorption. Finally, the review bridges fundamental materials science with industrial application by chronicling the scale-up milestones of pioneering entities and providing a strategic roadmap for advancing DAC technology readiness levels toward global deployment.

Adsorption↗
DOE OSTI2023

Incorporation of market signals for the optimal design of post combustion carbon capture systems

Recent studies have shown that fossil generators equipped with post-combustion carbon capture (PCC) systems are needed to reduce the cost of deep decarbonization. Such generators need to be flexible and responsive to grid conditions, particularly in a high variable renewable energy (VRE) environment. In this work, we evaluate the net present value (NPV) of retrofitting an existing natural gas combined cycle (NGCC) unit with a flexible PCC system while incorporating market signals from a high VRE grid. We use our industrial partner’s NGCC configuration as representative of existing NGCC units and Svante’s rapid-temperature swing adsorption (TSA) for PCC. Because of its ability to rapidly startup/shutdown and ramp-up/ramp-down, the chosen capture technology is very attractive for load-following operations. For a given set of market signals, we formulate a two-stage stochastic multi-period optimization problem, under the price-taker assumption, to simultaneously optimize the design of the capture system and operation of the entire plant. Rigorous models for the NGCC unit, PCC system, and compression system are developed using commercial process simulators and validated with either plant or vendor data. For computational tractability, we develop surrogate/reduced-order models for use in the optimization problem. The surrogate model for the NGCC plant is constructed by linearizing the rigorous dynamic model at 75% load, while data-driven nonlinear surrogate models for the capture and compression systems are constructed using simulation data from the rigorous models. The optimization problem, formulated as a mixed integer bilinear program, is implemented in the IDAES® integrated platform and solved to global optimality using Gurobi 9.5. Using this formulation, we determine the profitability of retrofitting an existing NGCC unit with the chosen capture system for multiple regions in the U.S. under two scenarios with different carbon prices. Importantly, the results show that the optimal decision strongly depends on the region and on the carbon price, thereby demonstrating the importance of the inclusion of market signals in the design process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Effective kinetics driven by dynamic concentration gradients under coupled transport and reaction

Biogeochemical reaction kinetics are generally established from batch reactors where concentrations are uniform. In natural systems, many biogeochemical processes are characterized by spatially and temporally variable concentration gradients that often occur at scales which are not resolved by field measurements or biogeochemical and reactive transport models. Yet, it is not clear how these sub-scale chemical gradients affect reaction kinetics compared to batch kinetics. Here we investigate this question by studying the paradigmatic case of localized pulses of solute reacting with a solid or a dissolved species in excess. Additionally, we consider non-linear biogeochemical reactions, representative of mineral dissolution, adsorption and redox reactions, which we quantify using simplified power-law kinetics. The combined effect of diffusion and reaction leads to effective kinetics that differ quantitatively and qualitatively from the batch kinetics. Depending on the nonlinearity (reaction order) of the local kinetics, these effects lead to either enhancement or decrease of the overall reaction rate, and result in a rich variety of reaction dynamics. We derive analytical results for the effective kinetics, which are validated by comparison to direct numerical simulations for a broad range of Damköhler numbers and reaction order. Our findings provide new insights into the interpretation of imperfectly mixed lab experiments, the effective kinetics of field systems characterized by intermittent reactant release and the integration of sub-scale concentration gradients in reactive transport models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fiber Composites of Metal–Organic Frameworks

The high chemical and structural diversity of metal–organic frameworks (MOFs), which are porous crystalline materials, has attracted significant academic and industrial interest. However, the poor processability of MOF powders limits their full potential in practical applications. Toward this end, MOF-based composite materials increase the framework robustness and subsequent utility. Among these hybrid materials, MOF composites prepared on commercially available textile fibers offer the high flexibility needed for important applications—such as heterogeneous catalysis, chemical sensing, pollutant removal, and drug release—while maintaining the functional properties of MOFs. The ability to further tailor these composites’ shapes for incorporation into industrial equipment increases their potential in applications such as adsorption devices and protective gears. In this Review, we summarize recently reported MOF/fiber fabrication methods and applications. In conclusion, our discussion on the advancements and remaining issues of these production methods segues into several highlighted applications of MOF/fiber composites, especially within adsorption devices and protective gears.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mercury Reduction, Uptake, and Species Transformation by Freshwater Alga Chlorella vulgaris under Sunlit and Dark Conditions

As a major entry point of mercury (Hg) to aquatic food webs, algae play an important role in taking up and transforming Hg species in aquatic ecosystems. However, little is known how and to what extent Hg reduction, uptake, and species transformations are mediated by algal cells and their exudates, algal organic matter (AOM), under either sunlit or dark conditions. In this study, using Chlorella vulgaris (CV) as one of the most prevalent freshwater model algal species, we show that solar irradiation could enhance the reduction of mercuric Hg(II) to elemental Hg(0) by both CV cells and AOM. AOM reduced more Hg(II) than algal cells themselves due to cell surface adsorption and uptake of Hg(II) inside the cells under solar irradiation. Synchrotron radiation X-ray absorption near-edge spectroscopy (SR-XANES) analyses indicate that sunlight facilitated the transformation of Hg to less bioavailable species, such as β-HgS and Hg-phytochelatins, compared to Hg(Cysteine) 2 -like species formed in algal cells in the dark. These findings highlight important functional roles and potential mechanisms of algae in Hg reduction and immobilization under varying lighting conditions and how these processes may modulate Hg cycling and bioavailability in the aquatic environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Evaluation of enzymatic depolymerization of PET, PTT, and PBT polyesters

Millions of tons of waste polyester plastics, including polyethylene terephthalate (PET), polytrimethylene terephthalate (PTT), and polybutylene terephthalate (PBT), end up in the environment as soil and water contaminants. Recent advances in enzymatic polyester degradation have motivated researchers toward biorecycling of plastic wastes. Leaf-branch compost cutinase (LCC) enzymes have been proven to be effective in the biodegradation of PET. This study focuses on enzymatic depolymerization of waste PET, PTT, and PBT materials by using an ICCG variant of LCC (LCC ICCG ) produced from Escherichia coli BL21(DE3). The degradation efficiency of the polyesters was determined by the monomer terephthalic acid (TPA) released from the depolymerization reaction. It was found that the most efficient depolymerization was achieved for PET, followed by PTT and PBT. A kinetic model based on Langmuir adsorption and the Michaelis-Menten equation was developed to describe the enzymatic depolymerization of PET, PTT, and PBT with various enzyme and substrate loadings. The model simulation results revealed that the LCCICCG enzyme loading should be linearly increased as the work capacity of the polyester substrate increases. A specific enzyme loading of 0.91 mg/g PET is suggested to achieve 90% depolymerization of PET within three days. Furthermore, the experimental data and model simulation results can be used to help further engineer the enzyme and process to achieve a complete biodegradation of polyester wastes at large scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Capacitive Deionization for the Extraction and Recovery of Butyrate

Separation processes underpin chemical manufacturing, energy and fuel production, resource recovery, and water purification. Capacitive deionization (CDI) is an electrochemical separation technique based on electrosorption of charged species from an aqueous solution. This work reports the development and application of CDI for the extraction and recovery of butyrate, a carboxylate anion that is key to bioenergy production, among other applications. Electrosorption of sodium butyrate was evaluated using a bench-scale CDI system with activated carbon cloth electrodes. Applying an external potential (1.2 V) enhanced the adsorption capacity of activated carbon for butyrate by 250%. Reversible electrosorption was also demonstrated by extracting and recovering butyrate at 1.2 and 0 V, respectively. Performance metrics including butyrate adsorption and desorption capacities, adsorption and desorption rates, charge efficiency, energy consumption, and recovery are reported. Furthermore, this study also investigates the long-term operational stability of the system by cycling the cell more than 1000 times using 1.2 and 0 V for charging and discharging, respectively. Subsequent physicochemical characterization indicates increased oxygen content (from similar to 2% to >8%), decreased specific surface area (by similar to 20%), and decreased pore volume (by similar to 20%), attributed to carbon oxidation. Overall, this work informs the design of CDI for organic anion separation and recovery.

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

Data for: Spatial access and resource limitations control carbon mineralization in soils

This dataset contains data and code used for the paper "Spatial access and resource limitations control carbon mineralization in soils", https://doi.org/10.1016/j.soilbio.2021.108427. Core-scale soil carbon fluxes are ultimately regulated by pore-scale dynamics of substrate availability and microbial access. These are constrained by physicochemical and biochemical phenomena (e.g. spatial access and hydrologic connectivity, physical occlusion, adsorption-desorption with mineral surfaces, nutrient and resource limitations). We conducted an experiment to determine how spatial access and resource limitations influence core-scale water-soluble soil organic matter (SOM) mineralization, and how these are regulated by antecedent moisture conditions. Intact soil cores were incubated at field-moist vs. drought conditions, after which they were saturated from above (to simulate precipitation) or below (to simulate groundwater recharge). Soluble carbon (acetate) and nitrogen (nitrate) forms were added to some cores during the rewetting process to alleviate potential nutrient limitations. Soil respiration was measured during the incubation, after which pore water was extracted from the saturated soils and analyzed for water soluble organic carbon concentrations and characterization. Our results showed that carbon (C) amendments increased the cumulative carbon dioxide (CO2) evolved from the soil cores, suggesting that the soils were C-limited. Drought and rewetting increased soil respiration, and there was a greater abundance of complex aromatic molecules in pore waters sampled from these soils. This newly available substrate appeared to alleviate nutrient limitations on respiration, because there were no further respiration increases with subsequent C and N amendments. We had hypothesized that respiration would be influenced by wetting direction, as simulated precipitation would mobilize C from the surface. However, as a main effect, this response was seen only in the C-amended soils, indicating that surface-C may not have been bioavailable. At the pore scale (pore water samples), drought and the C, N amendments caused a net loss of identified molecules when the soils were rewet from below, whereas wetting from above caused a net increase in identified molecules, suggesting that fresh inputs stimulated the C-and N-limited microbial populations present deeper in the soil profile. Our experiment highlights the complex and interactive role of antecedent moisture conditions, wetting direction, and resource limitations in driving core-scale C fluxes.This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv format, which can be accessed and processed using MS Excel or R. This archive can also be accessed on GitHub at https://github.com/kaizadp/TES_spatial_access_2021 (DOI: 10.5281/zenodo.5522938).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The surface chemistry of the atomic layer deposition of metal thin films

Abstract In this perspective we discuss the progress made in the mechanistic studies of the surface chemistry associated with the atomic layer deposition (ALD) of metal films and the usefulness of that knowledge for the optimization of existing film growth processes and for the design of new ones. Our focus is on the deposition of late transition metals. We start by introducing some of the main surface-sensitive techniques and approaches used in this research. We comment on the general nature of the metallorganic complexes used as precursors for these depositions, and the uniqueness that solid surfaces and the absence of liquid solvents bring to the ALD chemistry and differentiate it from what is known from metalorganic chemistry in solution. We then delve into the adsorption and thermal chemistry of those precursors, highlighting the complex and stepwise nature of the decomposition of the organic ligands that usually ensued upon their thermal activation. We discuss the criteria relevant for the selection of co-reactants to be used on the second half of the ALD cycle, with emphasis on the redox chemistry often associated with the growth of metallic films starting from complexes with metal cations. Additional considerations include the nature of the substrate and the final structural and chemical properties of the growing films, which we indicate rarely retain the homogeneous 2D structure often aimed for. We end with some general conclusions and personal thoughts about the future of this field.

Materials Science↗
DOE OSTI2026

Protein Adhesion on Semi-Fluorinated Polystyrene Surfaces in Static and Dynamic Measurements

Reducing protein adhesion is a critical strategy in fouling-resistant material innovation, with broad applications spanning biomedical and healthcare devices, biosensors, industrial and environmental systems, and other important technological domains. Here, in this study, we elucidated protein adhesion behavior on polystyrene-based thin films by neutron reflectometry (NR) and quartz crystal microbalance with dissipation (QCM-D), using both lysozyme and bovine serum albumin (BSA) as model proteins. To this end, semifluorinated polystyrene thin films with gradient wettability and surface energy were fabricated through dry processing using plasma oxidation and gas-phase deposition. Although it is believed that a fully fluorinated alkyl chain offers extremely low surface energy, thus rejecting foulants, and has been used in many fouling-resistant surface designs, enhanced protein–surface interactions were observed consistently in NR and QCM-D results, due to the combined effects of surface morphology and chemistry. On the contrary, depositing shorter fluorinated silane onto a hydrophilic PS surface contributed to a more homogeneous nanoscale fluorine coating, resulting in less initial protein adsorption and improved surface recovery. Comparative analysis of proteins with different sizes on the nanopatterned semifluorinated surface revealed the influence of molecular characteristics on surface interactions. Lysozyme, being smaller and more compact, showed faster adsorption kinetics and higher surface coverage but largely reversible binding, whereas BSA, with its larger and more flexible structure, formed broader and more stable interfacial layers. This study fills the gap in understanding protein adhesion within the range of hydrophobicity (water contact angle ∼90°), as current strategies often associate with extreme hydrophilic and superhydrophobic surfaces due to hydration or low-surface-energy rejection mechanisms, respectively. It also provides in-depth insights into current combinatorial fouling-resistant surface design.

Yuan, Yue [Oak Ridge National Laboratory (ORNL), O↗
DOE OSTI2020

Supported Pt Nanoparticles on Mesoporous Titania for Selective Hydrogenation of Phenylacetylene

Semi-hydrogenation of alkynes to alkenes is one of the most important industrial reactions. However, it remains technically challenging to obtain high alkene selectivity especially at a high alkyne conversion because of kinetically favorable over hydrogenation. In this contribution, we show that supported ultrasmall Pt nanoparticles (2.5 nm) on mesoporous TiO2 (Pt@mTiO2) remarkably improve catalytic performance toward semi-hydrogenation of phenylacetylene. Pt@mTiO2 is prepared by co-assembly of Pt and Ti precursors with silica colloidal templates via an evaporation-induced self-assembly process, followed by further calcination for thermal decomposition of Pt precursors and crystallization of mTiO2 simultaneously. As-resultant Pt@mTiO2 discloses a high hydrogenation activity of phenylacetylene, which is 2.5 times higher than that of commercial Pt/C. More interestingly, styrene selectivity over Pt@mTiO2 remains 100% in a wide phenylacetylene conversion window (20–75%). The styrene selectivity is >80% even at 100% phenylacetylene conversion while that of the commercial Pt/C is 0%. The remarkable styrene selectivity of the Pt@mTiO2 is derived from the weakened styrene adsorption strength on the atop Pt sites as observed by diffuse reflectance infrared Fourier transform spectroscopy with CO as a probe molecule (CO-DRIFTS). Our strategy provides a new avenue for promoting alkyne to alkene transformation in the kinetically unfavorable region through novel catalyst preparation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Phage K gp102 Drives Temperature-Sensitive Antibacterial Activity on USA300 MRSA

There is widespread interest in using obligately lytic bacteriophages (“phages”) to treat human bacterial infections. Among Staphylococcus aureus infections, the USA300 lineage is a frequent cause of invasive disease. We observed that phage K, a model S. aureus myophage, exhibits temperature-sensitive growth on USA300 strains, with the wild-type phage providing poorer growth suppression in broth and forming smaller and fainter plaques at 37 °C vs. 30 °C. We isolated 65 mutants of phage K that had improved plaquing characteristics at 37 °C when compared to the parental phage. In all 65 mutants, this phenotype was attributable to loss-of-function (LoF) mutations in gp102, which encodes a protein of unknown function that has homologs only among the Herelleviridae (SPO1-like myophages infecting gram-positive bacteria). Additional experiments with representative mutants consistently showed that the temperature-sensitive plaque phenotype was specific to USA300 MRSA strains and that Gp102 disruption was correlated with improved suppression of bacterial growth in broth and improved antibacterial activity in a mouse model of upper respiratory tract infection. The same genotype and in vitro phenotypes could be replicated in close relatives of phage K. Gp102 disruption did not have a detectable effect on adsorption but did delay cell culture lysis relative to wild-type under permissive infection conditions, suggesting that gp102 conservation might be maintained by selective pressure for more rapid replication. Expression of gp102 on a plasmid was toxic to both an MSSA and a USA300 MRSA strain. Molecular modeling predicts a protein with two helix-turn-helix domains that displays some similarity to DNA-binding proteins such as transcription factors. While its function remains unclear, gp102 is a conserved gene that is important to the infection process of Kayvirus phages, and it appears that the manner in which USA300 strains defend against them at 37 °C can be overcome by gp102 LoF mutations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback

The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic reasoning with quantum-chemistry based feedback from 3D atomistic representations. Our approach formulates catalyst discovery as an uncertain environment where an agent actively searches for highly effective catalysts via the iterative combination of large language model (LLM)-derived hypotheses and atomistic graph neural network (GNN)-derived feedback. Identified catalysts in intermediate search steps undergo structural evaluation based on spatial orientation, reaction pathways, and stability. Scoring functions based on adsorption energies and barriers steer the exploration in the LLM's knowledge space toward energetically favorable, high-efficiency catalysts. We introduce planning methods that automatically guide the exploration without human input, providing competitive performance against expert-enumerated chemical descriptor-based implementations. By integrating language-guided reasoning with computational chemistry feedback, our work pioneers AI-accelerated, trustworthy catalyst discovery.

artificial intelligence↗
DOE OSTI2022

Steering CO 2 hydrogenation toward C–C coupling to hydrocarbons using porous organic polymer/metal interfaces

The conversion of CO 2 into fuels and chemicals is an attractive option for mitigating CO 2 emissions. Controlling the selectivity of this process is beneficial to produce desirable liquid fuels, but C–C coupling is a limiting step in the reaction that requires high pressures. Here, we propose a strategy to favor C–C coupling on a supported Ru/TiO 2 catalyst by encapsulating it within the polymer layers of an imine-based porous organic polymer that controls its selectivity. Such polymer confinement modifies the CO 2 hydrogenation behavior of the Ru surface, significantly enhancing the C 2+ production turnover frequency by 10-fold. We demonstrate that the polymer layers affect the adsorption of reactants and intermediates while being stable under the demanding reaction conditions. Our findings highlight the promising opportunity of using polymer/metal interfaces for the rational engineering of active sites and as a general tool for controlling selective transformations in supported catalyst systems.

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

Effective CH4/N2 Separation using NU-1000 at High Pressures

Separation of methane (CH4) from other gases is of significant importance to reducing greenhouse gas emissions. In particular, the development and discovery of efficient adsorbents under pressure swing adsorption (PSA) conditions is a focus many research papers. We evaluated the potential of CH4/N2 separation performance using four adsorbents, including zirconium-based metal organic frameworks (NU-1000, UiO-66, and UiO-67) and a conventional adsorbent, zeolite-13X. Among them, NU-1000 presented high CH4/N2 selectivity (2.8) at 15 bar through ideal adsorbed solution theory because it has micro- and mesopores coupled with the large surface area, and a polar hydroxyl group along the pore surface. NU-1000 has a large CH4 working capacity (4.79) under PSA processes. These results demonstrated that NU-1000 is a sufficiently competitive adsorbent in PSA processes for CH4/N2 separation.

MOFs, NU-1000, separation↗
DOE OSTI2024

Data sets for Unraveling Iron Oxides as Abiotic Catalysts of Organic Phosphorus Recycling in Soil and Sediment Matrices

In biogeochemical phosphorus cycling, iron oxide minerals are acknowledged as strong adsorbents of inorganic and organic phosphorus species. The dephosphorylation of organic phosphorus is attributed only to biological processes, but iron oxides could also catalyze this hydrolytic cleavage. Limited evidence of this abiotic catalysis has relied on monitoring inorganic phosphate in solution, thereby ignoring iron oxides as both catalysts and adsorbents. Here we apply high-resolution mass spectrometry and X-ray absorption spectroscopy to characterize dissolved and particulate phosphorus species, respectively. In soil and sediment samples reacted with ribonucleotides, we uncover the abiotic production of particulate inorganic phosphate associated specifically with iron oxides. Experiments with various organic phosphorus compounds revealed up to 12-fold greater catalytic and adsorption reactivities with iron oxides than with the silicate and aluminosilicate minerals identified in the environmental samples. Remarkably, we obtained dephosphorylation rates by the iron oxides that are within reported enzymatic rates in soils. However, phosphorus cycle models do not yet include a quantitative account of the abiotic evolution of inorganic phosphate from organic phosphorus trapped on iron oxides in environmental matrices. Our findings imply a missing abiotic axiom for organic phosphorus mineralization in the phosphorus cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Pilot testing of CO2 capture from a coal-fired power plant—Part 2: Results from 1-MWe pilot tests

Abstract Using a 1-MWe slipstream pilot plant, solid-sorbent-based post-combustion CO2 capture was tested at a coal-fired power plant. Results from pilot testing were used to develop a preliminary full-scale commercial design. The sorbent selected for pilot-scale evaluation during this project consisted of an ion-exchange resin that incorporated amines covalently bonded to the substrate. A unique temperature-swing-absorption (TSA) process was developed that incorporated a three-stage fluidized-bed adsorber integrated with a single-stage fluidized-bed regenerator. Overall, following start-up and commissioning challenges that are often associated with first-of-a-kind pilots, the pilot plant operated as designed and expected, with a few key exceptions. The two primary exceptions were associated with: (i) handling characteristics of the sorbent, which were sufficiently different at operating temperature than at ambient temperature when design specifications were established with lab-scale testing; and (ii) CO2 adsorption in the transport line between the regenerator and adsorber that preloaded the sorbent with CO2 prior to entering the adsorber. Results from the pilot programme demonstrate that solid-sorbent-based post-combustion capture can be utilized to achieve 90% CO2 capture from coal-fired power plants.

Sjostrom, Sharon↗
DOE OSTI2026

Mechanism of H 2 plasma-enabled reduction of hematite thin films

Hydrogen plasma is gaining significant interest as a promising pathway for direct iron ore reduction and for lowering process temperatures but the reduction mechanism remains poorly understood. In this work we analyzed the plasma and thermal reduction of thin-film hematite (Fe 2 O 3 ) at temperatures below 340 °C using X-ray diffraction and scanning electron microscopy with energy-dispersive X-ray spectroscopy. Plasma reduced the incubation period by an order of magnitude and increased the reduction rate by a factor of 2.6 compared to thermal reduction. Plasma-produced H-atoms facilitate the formation of numerous iron nucleation sites, bypassing the energetically unfavorable dissociative adsorption of H 2 on iron oxide. These iron nuclei can autocatalyze the reduction of the surrounding hematite via a hydrogen spillover mechanism. Our results demonstrate that plasma-derived H-atoms primarily impact the initial nucleation-limited stage. These new insights provide a mechanistic framework that can aid the implementation and optimization of hydrogen plasma-assisted iron oxide reduction at reduced temperatures.

08 HYDROGEN↗