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At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Spatiotemporal and Statistical Mapping of Transition Metal Equilibria in Alkaline Media

Transition metal dissolution and redeposition (D/R) kinetics in alkaline media play a critical role in various chemical and electrochemical processes. Competitive reaction kinetics between different transition metals can modulate individual metal behavior in these processes. To date, these phenomena have remained largely unmeasured, and even when captured, they are difficult to statistically characterize due to their dynamic nature, simultaneous occurrence, and spatially heterogeneous nature. Here, in this study, we develop a statistical analysis framework based on in situ and operando X-ray fluorescence microscopy (XFM) to investigate the relative D/R kinetics of multiple transition metals in alkaline media. By employing statistical analysis, we quantify the spatial distribution of D/R species and assess the rate at which the system reaches equilibrium under varying reaction conditions. We show that pH does not simply change the rate of dissolution and redeposition, but reorganizes the cross-element kinetic correlations among Ni, Fe, and Mn and accelerates the spatial equilibration of D/R events, as quantified through correlation analysis, reaction-rate estimation, probability function distributions, and texture-based monitoring statistics. Additionally, we demonstrate how modifying the solvent environment can influence D/R kinetics, providing a pathway for tuning materials synthesis and process optimization. Our study offers valuable insights into the complex interplay between different transition metals and provides a reliable statistical framework for spatial analysis of diverse imaging data sets, enabling deeper extraction of latent information across multiple modalities.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Selective Sorbent Design: CaS Aerogel for Rapid Remediation of Aqueous Pb (II)

Heavy metals are a persistent environmental problem due to their high toxicity, even at very low concentrations (parts per billion, ppb). The removal of such diluted heavy metals is challenging because of the competition the counterions (Ca 2+ , Na + , Mg 2+ , etc.) present in natural water bodies. The design of sorbents capable of removing ions below the action limit (15 ppb for Pb 2+ ) requires a strong driving force for selective uptake and rapid removal. In this work, we report the synthesis of porous CaS aerogels (surface area = 143.6 m 2 /g) by oxidative assembly of CaS nanoparticles and describe their use in selective Pb 2+ ion remediation from water. Despite the presence of amorphous CaCO 3 (up to 50 wt %) in the gel network, the gels demonstrated a capacity of 17.1 mmol Pb/g aerogel (3543 mg/g), and this could be augmented to 22.5 mmol Pb/g aerogel (4593 mg/g) by modifying the synthesis to reduce CaCO 3 content to ca. 15 wt %. Moreover, the selectivity of CaS aerogels toward Pb 2+ ions is high, as evidenced by little-to-no change in the distribution constant (K d ∼ 10 4 ) in the presence of competing ions (1 M) such as Na + , Mg 2+ , and Ca 2+ . During remediation with low concentrations (100 ppb) of Pb 2+ with CaS aerogels, the level of Pb 2+ dropped to 5.4 ppb (below the 15 ppb EPA limit) within 1 h with a 95.4% removal efficiency. In contrast to the CO 2 supercritically dried aerogels, lower surface area ambient dried gels (xerogels) only remove 40% of the lead ions from a 100 ppb solution, saturating within 1 h. The efficiency and rapidity of selective Pb 2+ uptake using CdS aerogels arise from a combination of a strong thermodynamic driving force for cation exchange (K eq = 2.5 × 10 27 ) and chemisorption along with favorable kinetics associated with the high surface area porous architecture. These results show that formation of high surface area metal chalcogenide aerogels by oxidative assembly to form nanocrystalline architectures, as previously demonstrated for II−VI and IV−VI semiconductors, can be extended to the more highly ionic alkaline earth sulfides.

Aerogels↗
DOE OSTI2026

Decorated Honeycomb Lattice and Successive Magnetic Transitions of the Delafossite Derivative K 4 Ni 5 Te 3 O 16

Here, we report the synthesis and characterization of the delafossite derivative K 4 Ni 5 Te 3 O 16 , which hosts a decorated honeycomb Ni 2+ lattice. Single-crystal X-ray diffraction, electron microscopy, and neutron diffraction establish a noncentrosymmetric Pmm2 crystal structure that combines regular honeycomb units with elongated motifs formed by Ni 2+ trimers along extended edges. Magnetic susceptibility reveals strong antiferromagnetic interactions, while heat capacity measurements identify two successive magnetic transitions at 30 and 12 K. Neutron diffraction shows that these transitions correspond to a progression from partial to full long-range magnetic order on distinct Ni sites, reflecting competition among the various exchange interactions. The resulting magnetic point group, mm2.1′, inherits the lattice polarity and permits high-order magnetoelectric coupling. Consistent with this symmetry, a quadratic magnetic-field-induced polarization is experimentally observed below the magnetic ordering temperature, likely arising from exchange-driven magnetostriction coupled to the polar lattice. These results establish K 4 Ni 5 Te 3 O 16 as an interesting platform for engineering B-site ordering in delafossite derivatives to realize complex quantum magnetism and functional responses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Probing Electrochemical Mg-Ion Activity in MgCr 2– x V x O 4 Spinel Oxides

Mg migration in oxide spinels is impeded by strong affinity between divalent Mg and oxygen, suggesting a necessity of exploring new chemistry of solid lattices for functional Mg-ion electrode materials. Cationic mobility with a suitable activation energy in Cr spinels is Tn. evidenced by theoretical and experimental results, while redox potentials of V are appropriate to operate with currently limited candidates of '''c" nonaqueous electrolytes. By controlling the structure, composition, and complexity, a largely solid-solution MgCrVO 4 spinel was synthesized, which, unlike nanocornposites, can bring together the advantages of each transition metal in the lattice. The spinel was successfully synthesized by a simple solid-state reaction with minor inactive Cr- or V-rich components, which was confirmed via 25 Mg MAS NMR and high-resolution X-ray diffraction analyses. A thermally and anodically stable Mg(TPFA) 2 /triglyme electrolyte was utilized for high-temperature electrochemistry and lowering kinetic barriers at and across interfaces so as to observe intercalation behavior of Mg in the designed lattice. Multimodal characterization confirmed an apparent bulk demagnesiation from MgCrVO 4 with partial reversibility by probing evolution of the local and long-range structure as well as vanadium and chromium electronic states within the lattice. Furthermore, characterization experiments also provided a direct evidence for (de)intercalation reactions that occurred without any major competitive conversion reactions or insertion of protons into the lattice, except for the formation of a surface rock salt phase upon charge. These findings in Mg-ion activity expand opportunities to design Mg spinel oxide materials while highlighting the need to identify the origins of reversibility challenges due to, but not limited to, phase stability, particularly for the charged states, barriers at the interface, electrolyte stabilities, and desolvation phenomena, collectively hindering practical use as cathode materials.

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

Tin–Lead Alloying for Efficient and Stable All-Inorganic Perovskite Solar Cells

Cesium containing all-inorganic perovskites have received considerable interest in photovoltaics research because of their potential for improved stability compared to their organic-inorganic hybrid counterparts. However, the inorganic perovskites studied thus far still suffer from lower power conversion efficiency and long-term instability, due to an unfavorable bandgap and either phase instability or air-sensitivity. Herein, A strategy to mitigate these concerns is investigated by alloying tin and lead on the B site to form tin-lead alloyed low-bandgap (~1.34 eV) inorganic CsSn 0.3 Pb 0.7 I 3 perovskites. Solar cells made using this material in an inverted full-structured architecture with a PEDOT:PSS hole transport materials (HTM) attain power conversion efficiency (PCE) up to 9.41% (stabilized PCE 7.23%). Furthermore, a simple HTM-free device without PEDOT:PSS layer is demonstrated more stable than the full-structured device and exhibits a PCE of 7.60% (stabilized PCE 7.31%) – the highest efficiency to date for an inorganic perovskite with a bandgap below 1.40 eV. This simplified device structure shows good reproducibility and stability. Finally, this work provides a possible route for fabricating low-cost, high stability devices with competitive efficiencies.

14 SOLAR ENERGY↗
DOE OSTI2020

Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo -Hexahalocarbaborate Anions

Solid-state ion conductors based on closo-polyborate anions combine high ionic conductivity with a rich array of tunable properties. Cation mobility in these systems is intimately related to the strength of the interaction with the neighboring anionic network and the energy for reorganizing the coordination polyhedra. In this paper, we explore such factors in solid electrolytes with two anions of the weakest coordinating ability, [HCB 11 H 5 Cl 6 ] – and [HCB 11 H 5 Br 6 ] – , and a total of 11 polymorphs are identified for their lithium and sodium salts. Our approach combines ab initio molecular dynamics, synchrotron X-ray powder diffraction, differential scanning calorimetry, and AC impedance measurements to investigate their structures, phase-transition behavior, anion orientational mobilities, and ionic conductivities. We find that M(HCB 11 H 5 X 6 ) (M = Li, Na, X = Cl, Br) compounds exhibit order–disorder polymorphic transitions between 203 and 305 °C and display Li and Na superionic conductivity in the disordered state. Through detailed analysis, we illustrate how cation disordering in these compounds originates from a competitive interplay among the lattice symmetry, the anion reorientational mobility, the geometric and electronic asymmetry of the anion, and the polarizability of the halogen atoms. These factors are compared to other closo-polyborate-based ion conductors to suggest guidelines for optimizing the cation–anion interaction for fast ion mobility. This study expands the known solid-state poly(carba)borate-based materials capable of liquid-like ionic conductivities, unravels the mechanisms responsible for fast ion transport, and provides insights into the development of practical superionic solid electrolytes.

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

Chemical and Reactive Transport Processes Associated with Hydraulic Fracturing of Unconventional Oil/Gas Shales

Hydraulic fracturing of unconventional oil/gas shales has changed the energy landscape of the U.S.. Recovery of hydrocarbons from tight, hydraulically fractured shales is a highly inefficient process, with estimated recoveries of < 25% for natural gas and < 5% for oil. This review focuses on the complex chemical interactions of additives in hydraulic fracturing fluid (HFF) with minerals and organic matter in oil/gas shales. These interactions are intended to increase hydrocarbon recovery by increasing porosities and permeabilities of tight shales. However, fluid-shale interactions result in the dissolution of shale minerals and the release and transport of chemical components. They also result in mineral precipitation in the shale matrix, which can reduce permeability, porosity, and hydrocarbon recovery. Competition between mineral dissolution and mineral precipitation processes influences the amounts of oil and gas recovered. We review the temporal/spatial origins and distribution of unconventional oil/gas shales from mudstones and shales, followed by discussion of their global and U.S. distributions and compositional differences from different U.S. sedimentary basins. We discuss the major types of chemical additives in HFF with their intended purposes, including drilling muds. Fracture distribution, porosity, permeability, and the identity and molecular-level speciation of minerals and organic matter in oil/gas shales throughout the hydraulic fracturing process are discussed. Also discussed are analysis methods used in characterizing oil/gas shales before and after hydraulic fracturing, including permeametry and porosimetry measurements, X-ray diffraction/Rietveld refinement, X-ray computed tomography, scanning/transmission electron microscopy, and laboratory- and synchrotron-based imaging/spectroscopic methods. Reactive transport and spatial scaling are discussed in some detail in order to relate fundamental molecular-scale processes to fluid transport. Furthermore, our review concludes with a discussion of potential environmental impacts of hydraulic fracturing and important knowledge gaps that must be bridged to achieve improved mechanistic understanding of fluid transport in oil/gas shales.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2022

Next Generation Thin-Film Solar Absorbers Based on Chalcogenides

Harvesting solar energy has never been more important than today as the world is combating the implications of global climate change. Grid decarbonization is a central component of efforts to keep the global temperature increase below 2 °C following the 2015 Paris Agreement. The Sun is the cleanest and most abundant renewable energy source with the Earth’s surface receiving enough energy in an hour to meet the world’s annual energy demands. Therefore, we need to take advantage of the essentially limitless clean solar energy for powering our society; this can be achieved using photovoltaics (PV), direct conversion of sunlight into electricity using semiconductor materials. To gain full advantage of this technology, however, the cost of PV must be competitive with the more traditional carbon-based sources (coal, oil, and natural gas). Most recent developments on this front, including the current state-of-the-art solar cell technologies and ongoing work on a new generation of light absorbing chalcogenide materials, are discussed by Lydia Wong and colleagues in a comprehensive new review article (10.1021/acs.chemrev.1c00301). The Review covers a broad class of materials and provides a comparison between different materials on the basis of diode parameters and DFT calculations. Furthermore, this Highlight will focus specifically on copper zinc tin sulfide (CZTS).

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

Anion-Exchange-Membrane Electrolysis with Alkali-Free Water Feed

Hydrogen is a green and sustainable energy vector that can facilitate the large-scale integration of intermittent renewable energy, renewable fuels for heavy transport, and deep decarbonization of hard-to-abate industries. Anion-exchange-membrane water electrolyzers (AEM-WEs) have several achieved or expected competitive advantages over other electrolysis technologies, including the use of precious metal-free electrocatalysts at both electrodes, fluorine-free hydrocarbon-based ionomeric membranes and bipolar plates based on inexpensive materials. Contrasting the analogous proton-exchange-membrane system (PEM-WE), where pure water is circulated (no support electrolyte), the current generation of AEM-WEs necessitates the circulation of a dilute aqueous alkaline electrolyte for reaching high energy efficiency and durability. For several reasons, including but not limited to lower cost of balance-of-plant, lower operating cost and improved device's lifetime, achieving high cell efficiency and performance using an alkali-free water feed is highly desirable. In this review, we develop and build a foundational understanding of AEM-WEs operating with pure water, as well as discuss the effects of operating with natural water feeds like seawater. After a discussion of the possible advantages of pure-water-fed AEM-WEs, we cover the thermodynamic and kinetic processes involved in AEM-WE, followed by a detailed review of materials and components and their integration in the device. We highlight the influence of electrolyte composition and alkali/electrolyte-free feed on the membrane-electrode assembly, ionomers, electrocatalysts, porous transport layer, bipolar plates and operating configuration. We provide evidence for how the pure water feed engenders several issues related to the degradation of device components and propose mitigation strategies.

Electrodes↗
DOE OSTI2025

Diversifying the Materials and Technologies for the Future of Energy Storage

It is increasingly important to meet the growing global energy demand driven by factors such as population growth, electrification, and the rapid development of emerging economies, while minimizing the environmental harm caused by carbon dioxide emissions. Although fossil fuels remain an abundant and inexpensive energy source, there is a global consensus on the critical importance of addressing climate change and an increasing urgency to reduce carbon dioxide emissions without hindering economic growth. This challenge is particularly daunting due to the significant transformations required in electricity generation systems, transportation, and industrial processes. A significant portion of our energy still comes from burning fossil fuels, which poses harmful effects on the environment. Transitioning to renewable energy sources like solar and wind is essential, as these sources provide a low-carbon pathway for power generation and have become increasingly cost-competitive with fossil fuels. However, they face the inherent challenge of intermittency. Thus, energy storage systems (ESS) are essential not only to address this issue but also to accommodate the increasing adoption of electric vehicles (EVs). Lithium-ion batteries (LIBs) are still the predominant ESS used for these applications; however, they suffer from issues related to scarce and harmful resources, safety, and socio-economic impacts. This underscores the need for alternative energy storage systems beyond LIBs. Here, in this review, we discuss the diversification, repurposing, and recycling of ESS to meet the projected energy demand while minimizing environmental harm.

batteries↗
DOE OSTI2025

Process Feasibility Analysis of Waste Biomass Valorization to Biochar and Bio-Oil via Slow and Fast Pyrolysis

The United States has abundant biomass and waste feedstock to support the nation's energy addition and affordability targets. Pyrolysis, a thermochemical conversion process, decomposes lignocellulosic feedstocks into liquid, solid, and gaseous fuels that can contribute to the domestic production of biofuels, biopower, and bioproducts. Growing private sector interest in this technology is a key motivation for this comprehensive techno-economic process modeling analysis of a respective biorefinery that includes feedstock preprocessing, slow and fast pyrolysis, and product separation to bio-oil, biochar, and syngas hydrocarbons. Results show that biochar from slow pyrolysis could achieve minimum selling prices (MSPs) of $\$$188-$\$$260/t, competitive with reported market values, while bio-oil from fast pyrolysis is estimated to yield MSPs of $\$$6.49-$\$$9.68/GGE, approximately twice conventional fuel benchmarks. Sensitivity analysis identifies feedstock cost, product yield, and scale as primary cost drivers, while scenarios involving biochar carbon credits and high value applications may substantially improve economics. Overall, these results suggest that continued innovation in feedstock logistics, process integration, and market development will be critical to achieving economically viable and scalable bioproducts.

09 BIOMASS FUELS↗
DOE OSTI2026

Superstructure Optimization of Waste Plastic Pyrolysis, Integrating Thermal, Catalytic, and Plasma Technologies with Machine Learning

Global plastic waste generation exceeds 430 million tonnes per year, yet fewer than 9% are recycled in the United States. Pyrolysis offers a chemical recycling route at scale, but existing techno-economic and life cycle assessments fix product yields to single pure polymers, producing economic and environmental outputs that break down when the feed composition changes. Here, we present a superstructure optimization framework that addresses this by embedding a composition-aware random forest yield predictor, trained on 566 pyrolysis experiments, within a full-scale process simulation. Product distributions update automatically as feed allocation shifts across four reactor chemistries: conventional thermal, catalytic (HZSM-5), thermal oxo-degradation, and nonequilibrium CO2 plasma. The optimal superstructure achieves minimum selling prices of −0.56 to −0.76/kg feed and global warming potentials of −0.276 to −0.322 kg CO2-eq/kg feed across four commodity price scenarios, confirming profitable, carbon-negative operation without tipping fees. Carbon abatement costs of $\$$0.46 to $\$$1.25/kg CO2-eq are competitive with direct air capture. Sensitivity analysis shows that the catalytic-plasma split fraction is the single largest driver of both economic and climate performance, while hydrocracking allocation in the wax upgrading stage is emission-neutral across the full variable range. Mixed plastic waste streams, evaluated as composition-variable feedstocks rather than pure resins, are profitable and carbon-negative across realistic market conditions. These results give a quantitative basis for reactor selection, circular economy investment, and policy design targeting chemical recycling on a large scale.

Life cycle assessment↗
DOE OSTI2022

Carbonate Minerals and Dissimilatory Iron-Reducing Organisms Trigger Synergistic Abiotic and Biotic Chain Reactions under Elevated CO 2 Concentration

Increasing CO 2 emission has resulted in pressing climate and environmental issues. While abiotic and biotic processes mediating the fate of CO 2 have been studied separately, their interactions and combined effects have been poorly understood. To explore this knowledge gap, an iron-reducing organism, Orenia metallireducens, was cultured under 18 conditions that systematically varied in headspace CO 2 concentrations, ferric oxide loading, and dolomite (CaMg(CO 3 ) 2 ) availability. The results showed that abiotic and biotic processes interactively mediate CO 2 acidification and sequestration through "chain reactions", with pH being the dominant variable. Specifically, dolomite alleviated CO 2 stress on microbial activity, possibly via pH control that transforms the inhibitory CO 2 to the more benign bicarbonate species. The microbial iron reduction further impacted pH via the competition between proton (H + ) consumption during iron reduction and H + generation from oxidization of the organic substrate. Under Fe(III)-rich conditions, microbial iron reduction increased pH, driving dissolved CO 2 to form bicarbonate. Spectroscopic and microscopic analyses showed enhanced formation of siderite (FeCO 3 ) under elevated CO 2 , supporting its incorporation into solids. In conclusion, the results of these CO 2 -microbe-mineral experiments provide insights into the synergistic abiotic and biotic processes that alleviate CO 2 acidification and favor its sequestration, which can be instructive for practical applications (e.g., acidification remediation, CO 2 sequestration, and modeling of carbon flux).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Unlocking Dysprosium Constraints for China’s 1.5 °C Climate Target

Some key low-carbon technologies, ranging from wind turbines to electric vehicles, are underpinned by the strong rare-earth-based permanent magnets of the Nd, Pr (Dy)–Fe–Nb type (NdFeB). These NdFeB magnets, which are sensitive to demagnetization with temperature elevation (the Curie point), require the addition of variable amounts of dysprosium (Dy), where an elevation of the Curie point is needed to meet operational conditions. Given that China is the world’s largest REE supplier with abundant REE reserves, the impact of an ambitious 1.5 °C climate target on China’s Dy supply chain has sparked widespread concern. Here, we explore future trends and innovation strategies associated with the linkage between Dy and NdFeBs under various climate scenarios in China. We find China alone is expected to exhaust the global present Dy reserve within the next 2–3 decades to facilitate the 1.5 °C climate target. By implementing global available innovation strategies, such as material substitution, reduction, and recycling, it is possible to avoid 48%–68% of China’s cumulative demand for Dy. Nevertheless, ongoing efforts in REE exploration and production are still required to meet China’s growing Dy demand, which will face competition from the United States, European Union, and other countries with ambitious climate targets. Here our analysis urges China and those nations to form wider cooperation in REE supply chains as well as in NdFeB innovation for the realization of a global climate-safe future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Elucidating Phosphate and Cadmium Cosorption Mechanisms on Mineral Surfaces with Direct Spectroscopic and Modeling Evidence

The simultaneous sorption of cations and anions at the mineral–water interface can substantially alter their individual sorption characteristics; however, this phenomenon lacks a mechanistic understanding. Our study provides direct spectroscopic and modeling evidence of the molecular cosorption mechanisms of the cadmium ion (Cd 2+ ) and phosphate (P) on goethite and layered manganese (Mn) oxide of birnessite, through in situ attenuated total reflection Fourier-transform infrared (ATR-FTIR), P K-edge X-ray absorption near-edge structure (XANES) spectroscopy, and surface complexation modeling. Phosphate synergistically cosorbed with Cd on goethite predominantly through P-bridged ternary complexes (≡Fe–P–Cd) and electrostatic interactions at wide pH conditions. Likewise, P and Cd exhibited synergistic cosorption on birnessite by forming P-bridged ternary complexes (≡Mn–P–Cd) and weak competitive sorption at the layer edge sites. As pH and Cd loading increased, the surface P species transitioned from a binary complex to a ternary complex and/or Cd 3 (PO 4 ) 2 precipitate for both goethite and birnessite. Compared to that in solution at pH 8, the formation of Cd 3 (PO 4 ) 2 was inhibited by the presence of goethite and birnessite, ascribed to the specific adsorption of P and Cd, more pronounced in birnessite due to the stronger sorption of Cd at its vacant sites. Finally, the discovered cosorption mechanisms of P and Cd have important implications for understanding and predicting their mobility and availability in Cd-contaminated settings.

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

Short-Term Inhibition and Long-Term Enhancement of Irreversible Trace Metal Binding to Goethite in Multi-Metal Systems

Iron (oxyhydr)oxide minerals are important sorbents of trace metals in aquatic environments. Adsorption–desorption hysteresis has been documented for trace metals after aging, suggesting that they become incorporated over time. We previously found that ion size controls the extent of irreversible metal binding of single metals to goethite. In this study, we evaluate how the presence of multiple metals influences irreversible binding. Mixed Ni–Zn and Ni–Cd solutions were aged with goethite at pH 7 for 2 days, 30 days, and 60 days, after which isotope exchange experiments were performed to assess the lability of the adsorbed metal pools. After 2 days of aging, Ni and Cd in mixed-metal systems were more labile than in single-metal systems, indicating that competitive adsorption may partially block irreversible binding on short time scales. After 60 days, all three metals had larger irreversibly bound fractions than in single-metal systems. X-ray absorption near-edge structure (XANES) spectroscopy indicates that irreversibly bound fractions correlate with incorporation into goethite. This study demonstrates that pools of coadsorbed metals are bioaccessible on a time scale of minutes. Cooperative effects promote the structural sequestration of even large trace metals, causing reactive transport models to likely overpredict metal mobility. Long-term metal entrapment processes hinder micronutrient availability, impact contaminant sequestration and critical mineral recovery, and yield complex pathways through which metal solubilization may be enhanced or hindered during redox cycling.

58 GEOSCIENCES↗
DOE OSTI2026

Multilevel Analysis of Electrochemically Mediated Methanolysis of Poly(ethylene terephthalate) (PET)

Here, this study presents a multilevel analysis of electrochemically mediated methanolysis as a promising method for reducing the environmental impacts of plastic recycling, with a focus on depolymerizing poly(ethylene terephthalate) (PET) into dimethyl terephthalate (DMT). Instead of conventional chemical PET depolymerization, this electrochemical approach provides distinct technical advantages in process control and efficiency. At the process level, key operational parameters, including applied current and reaction time, were systematically investigated to optimize PET conversion and DMT selectivity. The electrochemical approach was directly compared to equivalent chemical methanolysis systems and demonstrated superior performance in terms of PET conversion and DMT selectivity. Building on these findings, a technoeconomic assessment identified the current economic bottlenecks and revealed that improvements in process design, DMT selectivity, PET conversion, and energy efficiency are key to reducing the overall process cost and enabling future implementation. While further optimization is required for market competitiveness, these results establish a performance baseline for the electrochemically mediated PET methanolysis process and underscore the importance of combining process-level innovation with systems-level evaluation in the development of sustainable recycling technologies.

chemical recycling↗
DOE OSTI2026

Spatial Optimization of Multiscale Biorefinery Deployment for a Diversified Bioeconomy in the United States

Strategic biorefinery siting is critical for a diversified bioeconomy, yet industry, policy, and research often focus on either large-scale biofuel plants or smaller-scale specialty bioproduct facilities, with limited coordination across scales. We address this gap by modeling biorefinery deployment spanning a 28-fold difference in capacity. We developed an open-source, spatially explicit framework integrating techno-economic analysis with logistics and refinery cost surrogate models to evaluate multiscale miscanthus-derived biorefineries across the rainfed U.S. for the production of ethanol, succinic acid, lactic acid, potassium sorbate, and acrylic acid. Overall costs change little as feedstock density increases, while transport distances decrease by ∼30 to 67% (∼100 km) and siting flexibility improves. Specifically, a 5-fold feedstock density increase (2% to 10% of suitable land) reduces minimum selling prices by <10% (e.g., 0.27 USD·gal –1 for ethanol). This limited economic sensitivity suggests dense planting is not required for competitive deployment, particularly for smaller-scale facilities. Representing collection areas as irregular rather than circular expands the feasible space under low-density scenarios. While large-scale refineries anchor regional supply chains, smaller facilities retain spatial flexibility even when large refineries are established. These findings highlight the importance of spatial representation and multiscale coordination for robust, regionally tailored biomanufacturing networks to advance renewable carbon integration without extensive land conversion.

biorefinery siting↗