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DOE OSTI2026

Investigation of Ion-Irradiated Beryllium Carbide (Be 2 C) for High-Temperature Nuclear Reactor Moderators

Beryllium carbide (Be 2 C) is an attractive alternative to graphite as a moderator material because of its high melting point, moderating efficiency, and theoretical environmental compatibility in MSRs, FHRs and HTGRs. However, its behavior under neutron irradiation is not yet known. Research on otherwise promising beryllium compounds are restricted because of the toxic nature of the material. For this work, a novel experiment was designed to safely irradiate beryllium-containing samples at The Michigan Ion Beam Laboratory (MIBL). Using this new capability, Be 2 C samples were irradiated with 9 MeV C 3+ ions from 2 dpa to 30 dpa, at temperatures up to 500 °C. Samples were characterized to investigate radiation tolerance. No evidence of phase precipitation, dislocation loops, or amorphization was observed up to 30 dpa, suggesting good radiation tolerance. One sample left in air for ~3 months oxidized slowly and lost structural integrity, while a sample kept in argon did not, suggesting that Be 2 C is not suitable for service in moist environments, but maintains its integrity in dry environments.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Alpha-Imaging Detector System Development for Large Area Monitoring

Effective management and disposal of legacy nuclear waste are essential for ensuring safe work environments and minimizing environmental impacts. Monitoring airborne actinide contamination is particularly critical due to the high internal dose potential of alpha-emitting radionuclides. Traditional continuous air monitoring systems (CAMs) used in the industry are limited in the volume of air they can sample, potentially leading to inaccurate radiation detection over large areas. For example, in 2018, elevated levels of airborne Plutonium-239 were detected beyond the controlled areas of the Hanford Plutonium Finishing Plant, highlighting the potential risks to both plant workers and nearby residents. To address these challenges, high-efficiency particulate absorbing (HEPA) air purifiers can enhance air flow by up to 1.5 orders of magnitude, thereby increasing monitoring efficiency and providing a cost-effective solution for large-area surveillance. To quantify the activities of alpha-emitting radionuclides on HEPA filters, the Savannah River National Laboratory is developing an advanced alpha-imaging detection system. This system includes scintillating materials combined with a digital scientific camera. A significant concern in operating such a large-area airborne monitoring system is the handling of HEPA filters, which may be contaminated with radioactive particles. To mitigate these hazards, it is crucial to ensure that any contamination is securely fixed onto the filters. Efforts have been made to optimize the sensitivity of scintillator-epoxy composites and apply them to HEPA filters. These materials were characterized using fluoroscence spectroscopy. These techniques confirmed the purity of the raw materials, the dispersion of scintillators in the epoxy matrix, and the stability of their optical and structural properties post-modification. The optimal scintillator-epoxy composite was selected for use on alpha-spiked HEPA filters to evaluate the efficiency of the sprayer. HEPA filters, embedded with alpha particles collected by an air purifier deployed in an airborne radiation area, have been tested to assess detection efficiency. Future work will focus on employing multiple imaging sensors simultaneously to enhance sensitivity across different regions of the HEPA filter.

Pham, Phuong [Savannah River National Laboratory (↗

DOE OSTI2025

3D Printing of Cement-Based Materials Using Seawater for Simulated Marine Environments

Global demand for adaptable and rapidly deployable construction solutions in offshore, coastal, and fluvial environments continues to rise, driven by pressing needs to develop energy platforms, improve coastal resilience, and support emergency response in the face of natural disasters. Increased investment in human-made coastal infrastructure, such as piers, support structures for power lines, offshore wind farms, and seawall protection systems, further underscores this trend. This study investigates the development of printable concrete mixtures for underwater environments using seawater as a replacement for freshwater, using a 3D printing syringe-based extrusion system. The effect of seawater addition and the printing medium (in air vs. underwater) was assessed via rheological and mechanical performance characterization. The results indicate rheological properties are favorable for seawater adoption by producing mixtures with higher yield stress and viscosity with the same levels of admixtures used for freshwater. Seawater-based mixtures demonstrated superior dimensional stability compared to freshwater counterparts, maintaining cross-sectional geometry, while compressive strength results showed no statistical differences between in-air and underwater samples. However, flexural strength was significantly influenced by geometry and printing medium. These findings establish critical rheological parameters for printable underwater mixtures and highlight the need for optimized curing strategies and layer bonding techniques to improve interfacial strength in underwater 3D printing applications.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Dissolved Inorganic Carbon and Dissolved Organic Carbon Data for the East River Watershed, Colorado (2015-2025)

This data package contains mean values for dissolved organic carbon (DOC) and dissolved inorganic carbon (DIC) for water samples taken from the East River Watershed in Colorado. The East River is part of the Watershed Function Scientific Focus Area (WFSFA) located in the Upper Colorado River Basin, United States. DOC and DIC concentrations in water samples were determined using a TOC-VCPH analyzer (Shimadzu Corporation, Japan). DOC was analyzed as non-purgeable organic carbon (NPOC) by purging HCl-acidified samples with carbon-free air to remove DIC prior to measurement. After the acidified sample has been sparged, it is injected into a combustion tube filled with oxidation catalyst heated to 680 oC. The DOC in samples is combusted to CO2 and measured by a non-dispersive infrared (NDIR) detector. The peak area of the analog signal produced by the NDIR detector is proportional to the DOC concentration of the sample. DIC was determined by acidifying the samples with HCl first, and then purging with carbon-free air to release CO2 for analysis by NDIR detector. Total dissolved nitrogen (TDN) was analyzed using a Shimadzu Total Nitrogen Module (TNM-L) combined with the TOC-L analyzer (Shimadzu Corporation, Japan). TNM-L is a non-specific measurement of total nitrogen (TN). All nitrogen species in samples are combusted to nitrogen monoxide and nitrogen dioxide, then reacted with ozone to form an excited state of nitrogen dioxide. Upon returning to ground state, light energy is emitted. Then, TDN is measured using a chemiluminescence detector. All data reported are the mean values upon minimum of three replicate measurements, with a relative standard deviation < 3%. All samples were analyzed under a rigorous quality assurance and quality control (QA/QC) process. This data package contains (1) a zip file (dic_npoc_data_2014-2025.zip) containing a total of 337 files: 336 data files of DIC and NPOC data from across the Lawrence Berkeley National Laboratory (LBNL) Watershed Function Scientific Focus Area (SFA) which is reported in .csv files per location and a locations.csv (1 file) with latitude and longitude for each location; (2) a file-level metadata (v6_20250901_flmd.csv) file that lists each file contained in the dataset with associated metadata; (3) a data dictionary (v6_20250901_dd.csv) file that contains terms/column_headers used throughout the files along with a definition, units, and data type; and (4) PDF and docx files for the determiniation of Method Detection Limits (MDLs) for DIC and NPOC data, which has been updated in 2026-08. Missing values within the anion data files are noted as either "-9999" or "0.0" for not detectable (N.D.) data. There are a total of 113 locations containing DIC/NPOC data. Update on 2020-10-07: Updated the data files to remove times from the timestamps, so that only dates remain. The data values have not changed. Update on 2021-04-11: Added Determination of Method Detection Limits (MDLs) for DIC, NPOC and TDN Analyses document, which can be accessed as a PDF or with Microsoft Word.Update on 6/10/2022: versioned updates to this dataset was made along with these changes: (1) updated dissolved inorganic carbon and dissolved organic carbon data for all locations up to 2021-12-31, (2) removal of units from column headers in datafiles, (3) added row underneath headers to contain units of variables, (4) restructure of units to comply with CSV reporting format requirements, (5) added -9999 for empty numerical cells, and (6) the addition of the file-level metadata (flmd.csv) and data dictionary (dd.csv) were added to comply with the File-Level Metadata Reporting Format. Update on 2022-09-09: Updates were made to reporting format specific files (file-level metadata and data dictionary) to correct swapped file names, add additional details on metadata descriptions on both files, add a header_row column to enable parsing, and add version number and date to file names (v2_20220909_flmd.csv and v2_20220909_dd.csv). Update on 2023-08-08: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-01-05. The file level metadata and data dictionary files were updated to reflect the additional data added. Update on 2024-03-11: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-11-21. Further, revisions to the data files were made to remove incorrect data points (from 1970 and 2001). The reporting format specific files were updated to reflect the additional data added. Revised versions of the PDF and docx files for determination of MDLs for DIC and NPOC were added to replace previous versions. Update on 2025-05-15: Updates were made to both the data files and reporting format specific files. New available DIC and NPOC data was added, up until the end of WY2024 (September 30, 2024). International Generic Sample Numbers (IGSNs), when registered, were added to the data files. The reporting format specific files were updated to reflect the additional data added. Update on 2026-09-01: Updates were made to both the data files and reporting format specific files. New available DIC and NPOC data was added, up until the end of WY2025 (September 30, 2025). Updated versions, as of 2026-08-10, of the PDF and docx files for determination of MDLs for DIC and NPOC data were added to this dataset.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Growth of Native Oxides of Niobium Thin Films for Superconducting Qubits with Etching Chemistry

Niobium thin films have been broadly applied in building superconducting qubits for quantum computing hardware. While improvements have been made by device engineering efforts, scaling the energy-sensitive quantum system requires materials study for further improvements. In this study, we performed XPS and ToF-SIMS analysis for Nb thin films across samples with different manufacturing techniques. By varying the air exposure time of the samples, this research comparatively investigates the chemical and depth profile of native oxides before and after the etching process. We observe a rapid logarithmic growth of oxide thickness across all samples and the dominant presence and growth of Niobium pentoxide in atomic percentage concentration on the surface. This comparative study provides insight into oxides mitigation strategies and correlation with qubits performance.

Lei, Zhicheng↗

DOE OSTI2024

Human Primary Airway Epithelium +/- Macrophages Response to HCoV-229E Infection Transcriptomics (ACS-DP3)

The purpose of this experiment was to evaluate the human host cellular response to wild-type Human coronavirus strain 229E (HCoV-299E) infection. Sample data was obtained for mock and infected (MOI 3) primary human airway epithelial cells with and without macrophages and grown in air-liquid interface conditions. Sample data was acquired using an Illumina Hi-Seq 4000 sequencer system and further processed for RNA sequencing (RNA-Seq) expression analysis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Summary of Analytical Services for the Hanford Site Radionuclide NESHAP Program

This document is a summary of the point source analytical requirements used to demonstrate compliance for the Department of Energy (DOE) Hanford Site operations with 40 Code of Federal Regulations (CFR) Part 61, “National Emission Standards for Hazardous Air Pollutants,” (NESHAP) Subpart H, “National Emission Standards for Emissions of Radionuclides Other Than Radon From Department of Energy Facilities,” and the Washington Administrative Code (WAC) 246-247, “Radiation Protection – Air Emissions.” This reference collects information from multiple source documents and is not intended to create, supersede, replace or over-ride any existing contractual, DOE, federal or state statutes, regulations, compliance agreements, orders, permits, licenses or other requirements. The requirement source document governs where any difference may exist. The Hanford Mission Integration Solutions (HMIS) Environmental organization has been contracted by DOE to manage and report data collected from the sampling and monitoring of radioactive air emissions point sources, colloquially called stacks. The Environmental organization coordinates the analyses and reporting of samples collected at various facilities across the Hanford Site. These facilities operate approximately 52 stacks that require sampling, monitoring or estimating radioactive air emissions. The stacks are operated by Bechtel National, Inc. (BNI), Central Plateau Cleanup Company (CPCCo), Hanford Tank Waste Operations & Closure (H2C), Hanford Laboratory Management and Integration (HLMI), and Pacific Northwest National Laboratory (PNNL). Stack samples from CPCCo, HLMI and H2C facilities are collected by the operating contractor staff, delivered to HMIS, and then shipped to an offsite contracted laboratory for analyses. The field and laboratory sample data uploaded into the Sample Management and Analytical Results Tracking (SMART) database are used to calculate sample volumes and concentrations. Sample concentrations are evaluated for compliance with federal and state regulations, permits, and license requirements. The SMART database also calculates total curies released for sampled point sources and stacks. Point source effluent concentrations and releases are published annually in publicly available reports. The BNI and PNNL operate several DOE-Hanford Field Office (HFO) stacks subject to the requirements of 40 CFR 61, Subpart H and WAC 246-247. The concentrations, curies released and dose modeling evaluation for these stacks are included in the DOE-HFO annual radionuclide NESHAP report. The sample collection, analyses and emissions estimates for these stacks are outside the scope of HMIS contracted responsibilities and not addressed further in this document.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

EMP, Attachment 1: Sampling and Analysis Plan (Rev.1)

This Sampling and Analysis Plan (SAP) is written for the Environmental Radiation Task activities related to radioactive air emissions (stack) monitoring and environmental radiological ambient air surveillance of Pacific Northwest National Laboratory (PNNL) operations at the PNNL-Richland campus and PNNL-Sequim campus. PNNL is a U.S. Department of Energy Office of Science laboratory in Richland, Washington. This plan is an attachment to PNNL’s Environmental Radiological Air Monitoring Plan (EMP) (PNNL-20919) and addresses a discrete, vital subject area that is subject to revision independent of the main text of the EMP document. This SAP provides the requirements for planning sampling events and the requirements imposed on the services provided by the analytical laboratory to the PNNL Environmental Radiation Task.

40 CFR 61 Subpart H↗

DOE OSTI2025

Voltage cycling as a dynamic operation mode for high temperature electrolysis solid oxide cells

Solid Oxide Electrolysis Cells (SOECs) have emerged as a promising technology for the efficient production of H2 via high-temperature electrolysis. However, power input from dynamic energy sources remains a significant challenge for their long-term stability. It is important to analyze the tolerance of cells under dynamic operation conditions. This study focuses on evaluating the impact of voltage cycling on the performance and durability of electrode-supported SOECs. We explore the operational limits and degradation mechanisms of SOECs subjected to various voltage conditions and find that the cells have high tolerance for dynamic voltage. Voltage cycling between 1.3 V and 1.5 V for 9000 cycles does not damage the cell. Conversely, cycling to higher voltages (≥1.7 V) results in accelerated degradation. Advanced characterization is used to screen for various degradation modes post operation. Within the oxygen electrode, XRD and STEM EDS find compositional and phase evolution in all voltage cycled samples including increased decomposition of the air electrode resulting in cation migration. Microstructural analysis of the fuel electrode from nano-CT data shows minimal change throughout the sample set and no evidence of Ni migration, indicating the fuel electrode is stable and not impacted by cycling to higher voltages within the timeframe studied.

Zhu, Zhikuan↗

DOE OSTI2024

Influence of elevated temperature and oxygen on the capture of radioactive iodine by silver functionalized silica aerogel

Reprocessing is considered a competent strategy for spent nuclear fuel management, yet radioiodine ( 129 I) is emitted in reprocessing off-gas as a hazardous byproduct. Silver functionalized silica aerogel (Ag 0 -aerogel), a promising iodine capture material, experiences a reduction in its capacity after prolonged exposure to off-gas components at elevated temperatures, a phenomenon termed as aging. To fully understand this process, we isolated the contribution of each aging factor, exposing Ag 0 -aerogel samples to N 2 and dry air gas streams, respectively, at 150 °C for different time periods. Aged samples were loaded with I 2 to examine the capacity change and comprehensively characterized to investigate the evolution of their properties. Results show that temperature alone did not alter Ag 0 -aerogel's capacity but triggered Ag 0 nanoparticles sintering and generated organic sulfur species. The presence of O 2 reduced the capacity by ~20 %, causing (i) formation of silver sulfide (Ag 2 S) crystals and (ii) oxidation of Ag-thiolate (Ag-S-r) to Ag sulfonate (Ag-SO 3 -r). Given that Ag 2 S readily adsorbs I 2 , the formation of Ag-SO 3 -r is the major inhibitor for iodine adsorption. This hypothesis was supported by density functional theory (DFT) simulations. These findings unraveled key mechanisms of Ag 0 -aerogel aging, which are useful in the development of materials that withstand realistic spent-nuclear-fuel-reprocessing off-gas conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Plant Characteristics, Porewater, Gas Flux, and Soil Biogeochemistry at Council Road Site Mile Marker 71, Seward Peninsula, Alaska, 2023

Data collected at Council, AK (64°51’35.0”N 163°41’59.1”W) during a summer campaign in 2023. Water data consists of soil porewater collected by centrifuging soil cores and also by field collection with porewater samplers (rhizons). Gas data consists of CO2, CH4 and N2O surface soil fluxes measured with a portable FTIR analyzer. Plant and root data consists of biomass, root length, diameter and mass. Soil data consists of total C and N. Air, water and soil samples span two main locations: a thermokarst wetland and an upland tussock. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).This dataset was generated to broadly address the following research question: how will climate change (i.e., thawing permafrost, landscape change) alter the ecosystem flux (sink versus source) of important greenhouse gases such as CO2, CH4 and N2O?Description of the contents of this data package: This dataset contains 5 different individual .csv files containing plant, soil, water and gas data. No software is needed to utilize them. PFTCover: Plant functional type ground cover in 1x1 meter plots. SoilCores: Solidphase and porewater phase soil biogeochemical variablesPlantData: Above and belowground plant traits. GasFlux: Surface plant-soil gas measurementsFieldPorewater: Field collected porewater biogeochemical variables

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Pacific Northwest National Laboratory Facility Radionuclide Emission Points and Sampling Systems

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Characterizing Greater Houston's Aerosol by Air Mass During TRACER

During the TRacking Aerosol and Convection interaction ExpeRiment (TRACER), a suite of aerosol and cloud measurements were made using the Texas A&M Rapid Onsite Atmospheric Measurement Van (ROAM-V) mobile instrument platform. Joint ROAM-V/radiosonde deployments focused on sampling polluted marine and continental air masses to understand summertime convection along and across the sea-breeze front as it propagated through Houston. The polluted marine air mass at Seawolf Park, Galveston, TX was defined by two characteristic aerosol populations. Although the background total particle concentrations averaged 2,500 cm −3 , the air mass was also influenced by frequent but irregular periods of ship emission with significantly higher aerosol concentrations at times exceeding 34,000 cm −3 . Ship emission influenced periods, typically lasting <10 min, contained smaller, less hygroscopic particles resulting in a 69% relative decline in cloud condensation nuclei (CCN) activated fraction at 1% supersaturation compared to background periods. Measurements in continental air masses northwest of Houston revealed an average aerosol concentration of 5,208 cm −3 with a κ value near 0.1 reasonably describing the CCN population, independent of particle size. In continental air masses, substantial differences in particle size and CCN activation over small distances (<42 miles between sites) suggest considerable site-to-site variability in addition to the expected day-to-day differences. This small-scale variability makes it difficult to generalize continental air mass aerosol properties. Both coastal and inland locations had effective ice nucleating particles, but inland deployments observed the warmest nucleation temperature at −15.6°C compared to −17.8°C close to the coast. These measurements can reduce uncertainties in regional convection allowing models to improve understanding of aerosol-cloud interactions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Pacific Northwest National Laboratory Facility Radionuclide Emission Points and Sampling Systems

Battelle–Pacific Northwest Division operates numerous research and development laboratories in Washington State. The U.S. Department of Energy (DOE) contracts to Battelle at Richland facilities on both the DOE Hanford Site and the Pacific Northwest National Laboratory (PNNL) Richland campus. These facilities have the potential for radionuclide air emissions. The PNNL contract with DOE also includes operations at the PNNL-Sequim campus in Sequim, where there is also the potential for radionuclide air emissions. This document is a periodic update that describes current PNNL facility emission units and sampling systems. The National Emission Standard for Hazardous Air Pollutants (NESHAP [40 Code of Federal Regulations 61, Subpart H]) requires an assessment of all emission units that have the potential for radionuclide air emissions. Emission units are registered with the State of Washington. Potential emissions from emission units are assessed annually by PNNL staff. Sampling, monitoring, and other regulatory compliance requirements are designated based on the potential to-emit dose criteria, a graded approach to facility-identified potential impact categories, and regulatory requirements. The purpose of this document is to describe the facility radionuclide air emission sampling program and provide current and historical facility emission unit system performance, operation, and design information. For sampled emission units, the building, exhaust unit, control technologies, and sample extraction details are provided. Additionally, applicable configuration drawings, figures, and photographs are included. For non-sampled emission units, emission estimation and radionuclide source details are provided. Site-wide permits for the lowest potential impact category are described. Deregistered/transitioned emission unit details are also provided as necessary for at least 5 years post-closure/transition. Currently, five emission units are sampled continuously for particulate radionuclides at PNNL managed facilities on the PNNL-Richland campus (3 of the 5) and on the Hanford Site (2 of the 5). Four of these units have sampling systems that comply with the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1–2011 standard for sampling from stacks and ducts of nuclear facilities, and the fifth is grandfathered and compliant with the older ANSI N13.1–1969 standard. In addition, the PNNL-managed Hanford Site 325 Building EP 325-01-S stack is sampled continuously for emissions of tritium. No emissions sampling is required for the single licensed emission unit on the PNNL-Sequim campus.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Navigating the Path to Autonomy: Real-World Lessons from an Air-Free Self-Driving Laboratory

While autonomous experimentation has promise to accelerate discovery in physcial sciences, the real-world integration of predictive models and experimentation is non-trivial. Here we describe the genesis of a self-driving laboratory (SDL) for air-sensitive chemistry at Argonne National Laboratory and demonstrate the experimental design considerations needed for high-throughput experiments before predictive models can lead to scientific discovery. Our SDL was designed to explore battery electrolyte stability. Our final SDL utilized plate readers in a glovebox with a nitrogen atmosphere to perform kinetic assays and screen hundreds of battery-relevant solvents. However, the roadmap to autonomy and airfree-friendly experimentation required the complex evaluation of several spectroscopic and chromatographic methods. The greatest experimental challenges were (a) developing long-term sampling methods that remained air-free; (b) accelerating kinetics to advance reactivity projections; and (c) ensuring labware compatibility with nonaqueous solvents used in battery chemistry. Our experiences highlight the practical gap between closed-loop aspirations and the realities of chemical discovery, offering lessons on the challenges of transferring every day laboratory workflows to autonomy. These results suggest a more realistic blueprint for autonomy in chemistry—one that balances thoughtful and realistic experimental formulation.

Robertson, Lily A.↗

DOE OSTI2025

UV-Enabled Defect Engineering in Multilayer GaSe and InSe and UV Writing of the Grating Pattern

III–VI post-transition-metal chalcogenides are layered semiconductor materials that exhibit direct band gaps in multilayers. Defect engineering is essential in 2D layered semiconductors for functional devices. Here, in this work, we report defect engineering in multilayer gallium selenide (GaSe) and indium selenide (InSe), where defects generated by ultraviolet (UV, 325 nm) laser irradiation result in an additional photoluminescence (PL) line. The additional PL line is due to defect-bound excitons. Characteristics of the defect emission are similar in GaSe and InSe samples subjected to UV irradiation, air annealing, and hydrostatic pressure. Two-beam UV interference was applied to create grating patterns with a periodic array of low and high densities of defects in GaSe. Density functional theory has identified the defect type in GaSe. The results provide valuable insights into defect generation and UV scribing of photonic circuits in 2D Se-based multilayers for optical integration in a 2D platform.

2D multilayered materials↗

DOE OSTI2025

Chemical Imaging of Atmospheric Biomass Burning Particles from North American Wildfires

The effects of biomass burning aerosols (BBA) on radiative forcing and cloud formation depend on chemical composition and the internal structures of individual particles within smoke plumes. To improve our understanding of the chemical and physical properties of BBA emitted at different times of the day and their evolution during atmospheric aging, we conducted a study as a part of the Fire Influence on Regional to Global Environments and Air Quality field campaign. Particle samples were collected onboard a research aircraft from smoke plumes from a wildfire in eastern Oregon during late afternoon and nighttime flights on August 28, 2019. A time-resolved aerosol collector was used to collect samples on substrates for offline spectromicroscopic imaging to investigate the single-particle characteristics of BBA particles. Approximately 20,400 individual particles from 10 selected samples were analyzed using computer-controlled scanning electron microscopy coupled with energy-dispersive X-ray microanalysis, revealing their elemental composition, morphology, and viscosity. Elemental microanalysis indicated that aged potassium is likely found in the form of K 2 SO 4 , KNO 3 , and possible K-organic salts. Further chemical speciation and carbon bonding mapping within individual particles were conducted using synchrotron-based scanning transmission X-ray microscopy (STXM) coupled with near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Real-time, water-soluble light absorption measurements were acquired using a particle-into-liquid sampler instrument coupled to a liquid waveguide capillary cell and total organic analyzer. In the late afternoon samples, 65% of the total particle number population consisted entirely of organic components, compared to 46% in the nighttime particles. These differences were attributed to discrepancies in composition at the time of emission and to the daytime condensation and accumulation of photochemically formed secondary organic material on existing BBA particles, a process that halts at night. Microscopy images indicated that particle viscosity was lower in the nighttime particles (<10 1 Pa·s), likely due to increased relative humidity and a higher contribution from hygroscopic inorganic components. The chemical heterogeneity of individual particles was quantified using STXM-derived mixing state parameters. The nature of carbon bonding within individual particles was inferred from the extent of carbon sp 2 hybridization derived from NEXAFS spectra. Average percentages of sp 2 hybridization range between 40% and 60%, with no noticeable differences between late afternoon and nighttime flights. These findings were compared with the online optical properties of both late afternoon and nighttime smoke plumes, providing valuable insights into the complex relationship between chemical composition and optical properties of BBA particles at different times of the day.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Functionalized Porous Polymer Networks as High-Performance PFAS Adsorbents

Toxic per- and polyfluoroalkyl substances (PFAS) are now found in nearly every water source on the planet. Exposure to these molecules can have negative health consequences, but the low concentration of PFAS relative to other solutes in water makes their removal challenging. Adsorbents offer a promising treatment route, but often exhibit low selectivities and removal capacities, as well as slow kinetics. The performance in these metrics can be improved by chemically optimizing PFAS binding sites and maximizing PFAS-adsorbent interactions. To explore how to achieve this, a porous polymer network solid (PPN-6, also known as PAF-1) was postsynthetically modified with various chemical moieties capable of leveraging unique combinations of electrostatic, hydrogen-bonding, hydrophobic, and fluorophilic interactions with PFAS molecules. Batch adsorption experiments and computational studies revealed that electrostatic and hydrogen-bonding interactions drive short-chain PFAS adsorption, while hydrophobic and fluorophilic interactions improve long-chain PFAS adsorption. In complex water matrices, a combination of electrostatic and fluorophilic interactions led to the greatest total PFAS removal. The best-performing material, functionalized with a fluorinated alkylammonium (PPN-6-FNDMB), selectively adsorbs PFAS with high capacity (up to 4.0 mmol/g) and rapid kinetics (equilibrium reached in <30 s). Furthermore, PPN-6-FNDMB outperforms several commercial adsorbents, achieving near-complete removal of 21 different PFAS from a groundwater sample collected at a US Air Force base. The PFAS could subsequently be desorbed from PPN-6-FNDMB, concentrating them by a factor of over 50 times. The recycled PPN-6-FNDMB could then be reused with minimal losses in long-chain PFAS adsorption capacity over four cycles.

Pezoulas, Ethan R↗