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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Assessment of Different Application Grades of Post-Consumer Recycled (PCR) Polyolefins from Material Recovery Facilities (MRFs) in the United States

The recycling of plastics has been gaining traction in the following years as many companies, organizations, and governments are pushing toward a more circular economy. However, plastic recycling rates are still small compared to those of plastic production, especially for polyolefins, such as high-density polyethylene (HDPE) and polypropylene (PP). With the goal of finding applications for recycled plastic resin, recyclers can face some challenges associated with the heterogeneity in the polymer properties of plastic waste streams, which could hinder the full potential of recycling due to the lack of a consistent feedstock. Here, this study assessed how an additional sorting step of recycled HDPE and PP streams, separating them into two categories based on the previous application, impacts the recycled polymer properties, such as physical, molecular, and thermal. It was demonstrated that manually separating HDPE articles previously processed by extrusion blow molding (EBM) or injection molding (IM) and PP articles by thermoforming (TF) or IM could yield recycled resins with more consistent properties, considering the significant differences between them. This highlights that an additional sorting step would allow recyclers to target more premium or currently unattainable plastic processing applications with postconsumer recycled (PCR) resins, which could significantly promote an increase in plastic recycling rates. Nevertheless, the development of new technologies is needed to automate this extra sorting step, as with the increase in scale manual sortation could not be feasible and cost-effective, reducing the attractiveness of using PCR resins in comparison to virgin ones.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Modulating Operational Conditions to Mitigate Deactivation in Formate Dehydrogenation on Pd Phases

In heterogeneous catalysis, poisoning by surface-bound intermediates poses a major barrier to sustained catalyst performance in (de)hydrogenation reactions. Formate/bicarbonate systems, as liquid organic hydrogen carriers (LOHCs), offer a CO 2 -integrated, low-temperature pathway for hydrogen storage and release, making them attractive for circular energy applications. However, their lower hydrogen density and susceptibility to catalyst deactivation limit their competitiveness compared to conventional LOHCs like methylcyclohexane. Here, this study investigates the mechanistic origins of formate (HCOO – ) dehydrogenation and associated deactivation on Pd interfaces. Using density functional theory (DFT) simulations, we show that under thermocatalytic conditions, strongly bound formate accumulates on the catalyst surface (Pd(111)), blocking active sites, raising activation barriers, and leading to progressive performance loss. Because formate adsorption involves charge transfer, we exploit its sensitivity to electronic structure by modulating the electrochemical potential of the catalyst. Our results reveal that hydrogen transfer from water and formate exhibits opposing potential dependencies, providing insights into the opposing driving forces behind both catalytic activity and poisoning. To further probe this phenomenon, we examine electrochemically induced phase transitions in Pd, focusing on PdO(100) and PdH(110), which are stable under oxidizing and reducing potentials, respectively, and demonstrate enhanced dehydrogenation activity between −0.4 and 0.2 V vs standard hydrogen electrode (SHE). Complementary thermal treatments help decouple kinetic and thermodynamic contributions to intermediate binding. These findings underscore the critical role of the catalyst phase and external stimuli in dictating poison-active site interactions and highlight phase engineering as a promising strategy to mitigate deactivation. This work offers mechanistic insights and design principles for developing more resilient and efficient catalysts for LOHC applications under realistic operating conditions.

Pd phase↗
DOE OSTI2025

Enhanced Electrocatalytic and Selective CO 2 -to-CO Reduction by a Rhenium(I) Complex Bearing 6,6′-Substituted 2,2′-Bipyridines

The electrochemical reduction of CO 2 (CO 2 RR) into value-added chemicals offers a promising route toward a circular carbon economy and reduced reliance on fossil fuels. A detailed understanding of the structural and electronic factors governing the performance of molecular CO 2 RR electrocatalysts is essential for the design of efficient, tunable systems. Here, in this study, we report a series of rhenium(I) complexes, fac-[Re I (6,6′-(R) 2 -bpy)(CO) 3 Cl] (bpy = 2,2′-bipyridine; R = mesityl (mes), 2,4,6-triisopropylphenyl (trip), or isophthalic acid (phth)) and evaluate their electrocatalytic activity. Among these, fac-[Re I (6,6′-(mes) 2 -bpy)(CO) 3 Cl] exhibited the highest performance, enabling selective CO 2 -to-CO conversion for 1 hour with Faradaic efficiency (FE) > 97%, representing an unprecedented activity level for a Re-bpy catalysts. Single-crystal X-ray diffraction and density functional theory (DFT) calculations indicated that favorable CO 2 binding could be promoted by the tilting of the 6,6′-(mes)2-bpy ligand (from the Re-CO coordination plane), providing mechanistic insight into the observed enhancement. The study consequently demonstrates a rational correlation between the CO 2 electrocatalytic performance of Re-bpy catalysts and their structural variations, as derived from X-ray data and corroborated by computational modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A Closer Look at Fe(II) Passivation of Goethite

Our understanding of how Fe(II) reacts with Fe(III) oxides has evolved significantly based on evidence for electron transfer at the oxide-water interface and Fe(II)-catalyzed recrystallization. Recent experiments, as well as computational calculations, further suggest that defects at oxide surfaces can facilitate electron transfer. There is, however, some evidence that these processes cease after continued contact with Fe(II). Here, we explore the sustainability of these processes over longer time frames by measuring whether exposure to Fe(II) inhibits Fe(II)-goethite electron transfer, and whether this inhibition is reversible. To quantify the extent of electron transfer, we used selective isotope labeling with 57Fe Mössbauer spectroscopy. The results revealed that pre-reacting goethite with Fe(II) decreases the extent of electron transfer during subsequent exposures, and that less electron transfer occurs with increasing reaction time. Similarly, X-ray absorption spectroscopy and magnetic circular dichroism suggest that reaction with Fe(II) consumes surface defects and forms a passivation layer, making goethite less susceptible to electron transfer. When Fe(II) is removed by either wet chemical extraction or oxidation, electron transfer is mostly restored, suggesting that inhibition of electron transfer is reversible. Our results show that in environmental systems, which are commonly subjected to transient geochemical fluctuations, electron transfer between Fe(II) and Fe oxides, and processes linked to it, are likely to be relevant beyond just short time scales.

Andrade de Notini, Luiza↗
DOE OSTI2023

Energy and Power Evolution Over the Lifetime of a Battery

Li-ion batteries currently are dominant energy storage devices for electric vehicles. Rechargeable batteries with lower cost, longer lifetime, and higher safety are desired in support of building of a green grid infrastructure. The continued investment in new battery materials, novel battery structures, advanced manufacturing processes, and accelerated testing/validation of battery performance has led to significant progress in battery development and deployment. Battery safety/reliability, which is essential to the success of a battery technology in the real world, naturally becomes the next big topic in battery research. Recently, the increasing interest in long-duration storage, fast charging, battery secondary use, and material recycling to build a circular industry and sustainable material supply chain has compelled further attention to understand the energy/power evolution and safety over the lifetime of a battery. Here, in this short Viewpoint, we discuss some high-level analyses on the energy/power evolution of rechargeable batteries over their life cycles aiming to inspire more discussion on the safety and sustainability of some representative and emerging battery technologies.

25 ENERGY STORAGE↗
DOE OSTI2021

Cost and Energy Metrics for Municipal Water Reuse

Municipal water reuse can contribute to a circular water economy in different contexts and with various treatment trains. This study synthesized information regarding the current technological and regulatory statuses of municipal reuse. It provides process-level information on cost and energy metrics for three potable reuse and one nonpotable reuse case studies using the new Water Techno-economic Assessment Pipe-Parity Platform (WaterTAP3). WaterTAP3 enabled comparisons of cost and energy metrics for different treatment trains and for different alternative water sources consistently with a common platform. A carbon-based treatment train has both a lower calculated levelized cost of water (LCOW) ($0.40/m3) and electricity intensity (0.30 kWh/m3) than a reverse osmosis (RO)-based treatment train ($0.54/m3 and 0.84 kWh/m3). In comparing LCOW and energy intensity for water production from municipal reuse, brackish water, and seawater based on the largest facilities of each type in the United States, municipal reuse had a lower LCOW and electricity than seawater but higher values than for production from brackish water. For a small (2.0 million gallon per day) inland RO-based municipal reuse facility, WaterTAP3 evaluated different deep well injection and zero liquid discharge (ZLD) scenarios for management of RO concentrate. Adding ZLD to a facility that currently allows surface discharge of concentrate would approximately double the LCOW. For all four case studies, LCOW is most sensitive to changes in weighted average cost of capital, on-stream capacity, and plant life. Baseline assessments, pipe parity metrics, and scenario analyses can inform greater observability and understanding of reuse adoption and the potential for cost-effective and energy-efficient reuse.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Bipolar Membrane Capacitive Deionization for pH-Assisted Ionic Separations

Selective ionic separations represent an increasingly important technical area for the strategic interests of the U.S. economy–for example, securing critical minerals and materials and circular economy aspirations that include recovering organic acids from processed biomass. This work disseminates bipolar membrane (BPM) capacitive deionization for selective ionic separations from multicomponent, ionic species mixtures. The selective separations are guided by the Pourbaix diagram and acid–base equilibria principles. BPM capacitive deionization was demonstrated to generate alkaline or acidic process streams depending upon the location of the BPM in the electrochemical cell. The role of system operating parameters, such as the cell voltage, residence time, and feed concentration on effluent stream pH was studied. It was observed that the pH adjustment in BPM-CDI/MCDI (MCDI, membrane capacitive deionization) was more sensitive to the cell voltage when compared to the process stream residence time and salt feed concentration. The BPM-MCDI gave over 6 times higher percentage of copper(II) removal when compared to sodium ion removal from brine mixtures. Lastly, BPM-MCDI demonstrated over 40% greater removal for copper ions from brine mixtures and fivefold higher removal for itaconic acid from brine mixtures when benchmarked against a traditional flow-by-MCDI setup.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Reducing Pb and Cl Mobility in Waste-to-Energy Fly Ashes via Chlorellestadite Formation

Sustainably sourced development minerals are vital to meeting the demand for low-carbon construction materials. A potential waste material that can be a low-carbon construction material for cementitious systems is waste-to-energy fly ash (WTE ash), a by-product of waste incineration. WTE ash contains chloride-bearing species and heavy metals, which can promote steel reinforcement corrosion and present long-term leaching risks. Here, we present a new multi-step ash treatment protocol involving dissolution and heating to transform the non-readily removable chlorides in WTE ash to Chlorellestadite (Ca 10 (SiO 4 ) 3 (SO 4 ) 3 Cl 2 ). Our results suggest that this transformation significantly reduces chloride release from WTE ash in an alkaline cement-like environment by over two orders of magnitude, from 1500 mg/l to less than 10 mg/l. This transformation also significantly reduces Pb mobility after treatment (from > 5 mg/l to < 0.5 mg/l), likely caused by the crystallo-chemical incorporation of Pb in Chlorellestadite. In contrast to the existing ash treatment methods, the proposed ash treatment protocol minimizes heavy metals volatilization while simultaneously reducing Pb mobility and chloride release through Chlorellestadite formation. Furthermore, these findings overcome limitations preventing the commercial use of WTE ash and thus opening up pathways towards a circular economy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Postanaerobic Digestion Manure Fibers as a Renewable Source of Lignin-Derived Aromatic Compounds for Microbial Upgrading

Abstract Postanaerobic digestion manure fibers are an abundant solid residue that remains underutilized. The substantial lignocellulosic content of digested manure opens the possibility of using it as a renewable resource for producing valuable products. In this study, we performed compositional and nuclear magnetic resonance analyses to determine lignin content and aromatic composition of these fibers. Additionally, alkaline-based treatment and reductive catalytic fractionation were evaluated as two different processes to produce aromatic-rich streams. The liquor from the alkaline treatment was subsequently utilized for microbial upgrading to produce 2-pyrone-4,6-dicarboxylic acid (PDC). The results showed that lignin in manure fibers represents 30% of the biomass (dry weight basis), with a ∼26% abundance of β-ether-linked aromatics and ∼13% p-coumarate moieties, indicating that the amount of lignin in the postanaerobic biomass is comparable to a moderately pretreated plant biomass. The alkaline treatment released 5.6 g aromatics/kg fibers, while reductive catalytic fractionation produced 14.0 g aromatics/kg fibers. A bioreactor operated in fed-batch mode produced a yield of ∼1 mol of PDC/mol measured aromatics at a rate of 0.2 g PDC/L·h and a titer of 2.6 g PDC/L. This study demonstrates how postanaerobic digestion manure fibers could be used in a circular bioeconomy by harnessing their lignocellulosic content to extract aromatic compounds and use them for obtaining valuable chemicals via microbial upgrading.

Riascos, Brayan D. [University of Wisconsin-Madiso↗
DOE OSTI2026

Depolymerization of Vinyl Polymers

Depolymerization is a promising approach to reduce plastic waste by regenerating monomers from polymers, presenting a compelling solution to maintain a circular polymer economy. However, vinyl polymers with all-carbon backbones are especially difficult to depolymerize due to significant thermodynamic and kinetic barriers. Developments in reversible-deactivation radical polymerization and catalytic methods demonstrate how tuning polymer structure and reaction conditions can address these challenges. This Viewpoint revisits early studies on radical depolymerization and recent advances enabling monomer recovery at lower temperatures. Exciting current trends to utilize depolymerization as a strategy for tuning polymer material properties and upcycling waste polymer to high-value products are discussed. Finally, we outline key directions to make vinyl polymer depolymerization scalable, efficient, and economically viable.

depolymerization↗
DOE OSTI2024

Cast Film Production with Polyethylene Recycled from a Post-Industrial Printed Multilayer Film by Solvent-Targeted Recovery and Precipitation

The solvent-targeted recovery and precipitation (STRAP) process separates and recovers the constituent resins in multilayer plastic packaging films by selective polymer dissolution. In this work, three different experimental methods were considered to recover a polyethylene (PE) resin from a printed multilayer film by STRAP. The methods consisted of (1) a filter bag system, (2) a Soxhlet extraction, and (3) a jacketed dissolution vessel. Cast films were produced with the PE recovered from each method and were analyzed for color, mechanical properties, and number of impurities. High-quality recycled PE cast films can be produced by increasing the solvent to plastic ratio, including a filter pore size of 100 μm, and optimizing temperature control in STRAP. Furthermore, this study demonstrates that STRAP polymers can be recycled back into plastic films, enabling the potential circularity of these packaging materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Enzymatic Nylon Deconstruction: Enzyme Discovery, Engineering, and Opportunities

Nylons are widely used synthetic polyamides valued for their strength, versatility, and durability across diverse applications. However, their petrochemical origin and energy-intensive production underscore the need for efficient, circular solutions. Conventional recycling methods remain limited by incomplete recovery, material degradation, and costly sorting requirements. Enzymatic depolymerization offers a selective, low-energy alternative capable of processing mixed waste streams under mild conditions. While significant progress has been achieved for polyesters, enzymatic degradation of polyamides is still at an early stage. The discovery of nylon hydrolases demonstrated the potential of biological systems to evolve catalysts for synthetic polyamides, yet reported depolymerization yields remain low. These limitations reflect both the structural complexity of nylons and the need for improved enzyme discovery and engineering. In conclusion, this review highlights recent advances, key challenges, and future directions for enzymatic nylon recycling, outlining its potential role enabling mixed polymer waste to be used as a green feedstock for remanufacturing.

Amides↗
DOE OSTI2025

Inhomogeneous Magnetic Anisotropy in an Fe 5– x GeTe 2 Nanoflake Observed by Imaging

Few-layer flakes of ferromagnetic Fe 5–x GeTe 2 with x = 0.3 (F5GT) possess a c-axis magnetocrystalline anisotropy that is large enough below ∼200 K to outcompete the easy-plane shape anisotropy, yielding distinctive magnetic microstructures with out-of-plane (OOP) magnetizations. Using photoemission electron microscopy (PEEM) with magnetic contrast from X-ray magnetic circular dichroism (XMCD) to study a thermally demagnetized h-BN-protected nanoflake of F5GT at 110 K, we observe a micron-scale coexistence between domains with OOP magnetizations (∼70% areal fraction) and hitherto unknown domains in which in-plane (IP) magnetization components dominate (∼30% areal fraction). The regions with dominant IP magnetization components do not correlate with small variations of flake thickness (6–10 nm) and instead arise from local changes of magnetocrystalline anisotropy due to a hitherto unidentified chemical inhomogeneity that we suggest to be a higher concentration of Fe vacancies. Our observation of micron-scale inhomogeneity would likely be missed if imaging a single flake orientation and should affect the viability and performance of van der Waals (vdW) spintronic devices with F5GT electrodes.

2D materials↗
DOE OSTI2025

Probing Surface Plasmon Dynamics in Periodic Nanostructures through Ultrafast Electron Microscopy

Surface plasmon polaritons (SPPs) can be manipulated to localize and guide light in subwavelength distances, enabling them to find applications in a wide range of areas, from sensing to quantum computing. Among several methods of SPP excitation, periodic arrays of nano- and microstructures are of particular interest, as they enable engineering SPP properties through structural parameters. Here, in this study, using the photon-induced near-field electron microscopy (PINEM) technique, we investigated the mode formation, coupling, interference, and decay of SPPs in square and hexagonal arrays of circular nanoholes under both visible and near-infrared excitation. Polarization-resolved analysis revealed the key factors governing SPP localization and interference patterns, showing that the periodicity and symmetry of the array primarily determine the SPP interference patterns and their orientation, while pump polarization mainly modulates their intensity. Time-resolved PINEM measurements demonstrated the spatial dependence of the SPP temporal characteristics. In addition, cathodoluminescence (CL) spectroscopy was employed to examine the intrinsic plasmonic characteristics of the structure. Finite difference time domain (FDTD) simulations showed strong agreement with both PINEM and CL measurements on the spatial and spectral behavior of SPPs. Understanding the spatiotemporal dynamics of SPPs on nanostructures beyond the diffraction limit is crucial for optimizing plasmonic structures for advanced photonic and quantum technologies.

Plasmonics↗
DOE OSTI2025

Interplay between Chiro-Optical and Spin Transport Properties in Chiral CdSe Quantum Dots

The chiral-induced spin selectivity (CISS) effect offers compelling approaches for manipulating spin-dependent processes in both chemistry and physics, yet the physical mechanism(s) underpinning CISS are still debated. Here we present a study of structure-property relationships in chiral quantum dot assemblies to identify attributes of CISS-based phenomena. Our results show that the circular dichroism (CD) strength of chiral CdSe quantum dots’ primary exciton transition correlates with two CISS properties, the propensity to transmit pure spin currents and to produce spin-polarized charge currents. While the spin-polarized charge current reverses its sign with a change in the polarity of the CD signal, the pure spin current transport does not. The trends in both transport types can be rationalized in terms of chirality-induced splitting of spin sub-bands, which are modulated by chiral symmetry breaking under charge transport through the CdSe quantum dots.

cadmium selenide↗
DOE OSTI2026

Dynamic Interfacial Design in Adaptive Hybrid Materials Enables Reversible and Tunable Mechano-Optic Smart Responses

Next-generation polymeric materials are shifting toward adaptive and interactive behaviors of living systems; however, designing materials that can reversibly modulate optical properties under mechanical deformation while maintaining mechanical robustness remains a key challenge. Here, we report a mechanically robust vitrimer-based adaptive hybrid material (AHM) that exhibits a stretch-induced reversible transparency-to-opacity transition, enabled by the integration of dynamic interactions at the polymer–silica nanoparticle interface and controlled nanoparticle self-assembly. The AHM combines boronic ester–functionalized polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (S-Bpin) with diol-functionalized silica nanoparticles (diol-SiNPs) to form a hybrid network hosting both dynamic boronic ester and hydrogen-bonding interactions. These reversible linkages facilitate controlled nanoparticle self-assembly and enable strain-induced nanoparticle alignment/aggregation. Upon stretching, SiNP-rich domains align and aggregate within the polymer matrix, while local modulus mismatch between stiff aggregated SiNP/borylated-styrene-rich regions and the softer elastomeric midblock induces surface microwrinkle formation. These internal aggregates and surface wrinkles cooperatively enhance light scattering, producing the opaque state under strain. Furthermore, the tailored AHM exhibits high toughness, thermomechanical stability, reprocessability, and programmable shape-memory behavior. This work presents a dynamic interfacial design strategy for mechanically robust, optically reconfigurable, and reusable soft materials for adaptive optics, smart windows, sensing, soft robotics, and circular smart-material platforms.

adaptive hybrid materials↗
DOE OSTI2026

Topological Hall Effect in Antiferromagnetic Co-Doped Fe 3 GaTe 2

Fe 3 GaTe 2 is van der Waals (vdW) ferromagnet with a Curie temperature T C ranging from 350 K to 380 K, followed upon cooling by a ferrimagnetic transition near room temperature. Substituting Fe with Co was previously reported to induce antiferromagnetism (AFM) at a Co fraction dependent Néel temperature TN. In this work, we confirm the overall phase diagram of the Fe 3-x Co x GaTe 2 series as a function of x and temperature via magnetization and electrical transport measurements. For x ≥ 0.6 the Hall effect is observed to mimic the magnetization as the AF ground state is suppressed by the external magnetic field via a metamagnetic transition, thus displaying an anomalous Hall response. At low temperatures, we also observe a pronounced topological Hall signal peaking at μ 0 H = 4 T, or within the metamagnetic transition region of fields. This observation points to the presence of magnetic field-induced chiral spin textures, such as skyrmions upon approaching magnetization saturation. Remarkably, magnetic force microscopy (MFM) reveals the emergence of nearly circular magnetic domains, with diameters on the order of 100–200 nm, within the antiferromagnetic phase. Here, a detailed analysis of the MFM images indicates that the topological Hall effect is closely linked to the field-induced stabilization of magnetic domain structures, likely exhibiting chiral textures. This observation suggests the possible formation of skyrmions already in the AFM phase, i.e., AFM skyrmions, that evolve into ferromagnetic (FM) ones upon increasing the magnetic field. Consequently, Co-doped Fe 3 GaTe 2 might provide a platform to investigate the transformation of skyrmions, initially coupled antiferromagnetically into ferromagnetic skyrmions, and to explore its impact on the topological and skyrmion Hall effects.

anomalous Hall effect↗
DOE OSTI2026

Solvent-Mediated Control of Nanocellulose Dispersion: An Integrated Computational and Experimental Investigation

Fibrillated cellulose derived from forestry feedstocks represents a renewable and high-strength materials platform for circular bioeconomies. However, its practical implementation is hindered by the irreversible aggregation of nanocellulose architectures, including cellulose nanofibers (CNFs). Solvent-based dispersion offers a simple and practical route to prevent CNF aggregation. Here, in this work, we integrate classical and enhanced sampling molecular dynamics (MD) simulations with experimental suspension rheology and atomic force microscopy (AFM) to elucidate how solvent environments tune CNF–CNF interactions and dispersion stability. CNF–CNF contact free energies computed from MD simulations reveal reduced aggregation in acetone/water, γ-valerolactone (GVL)/water, and tetrahydrofuran (THF)/water and pure acetone compared with pure water, reflecting stronger CNF-solvent relative to inter-CNF interactions. Correspondingly, CNF-solvent suspensions in these solvent systems exhibit stronger inter-fibril network structures and enhanced recovery compared to water, indicating improved CNF-solvent affinity. Liquid cell AFM imaging in acetone–water mixtures and in pure acetone further confirm the presence of well-dispersed CNFs. By combining multiscale computation with targeted experiments, this study establishes a rational framework for solvent design to achieve stable nanocellulose dispersions for high-strength biobased materials and efficient bioenergy conversion.

cellulose↗