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

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Elucidation of Ce/Zr ratio effects on the physical properties and catalytic performance of CuO x /Ce y Zr 1− y O 2 catalysts

Although cerium oxide (CeO 2 ) is widely used as a catalyst support, its limited defect sites and surface oxygen vacancy/mobility should be improved. The incorporation of zirconium (Zr) in the cerium (Ce) lattice is shown to increase the number of oxygen vacancies and improve catalytic activity. Using a fixed surface density (SD) of copper (∼2.3 Cu atoms per nm 2 ) as a surface species, the role of the support (Ce y Zr 1−y O 2 (y = 1.0, 0.9, 0.6, 0.5, and 0.0)) and defect site effects in the CO oxidation reaction was investigated. Spectroscopic (e.g., Raman, XRD, XPS) and microscopic (e.g., SEM-EDX, HR-TEM) characterization techniques were applied to evaluate the defect sites, crystallite size, lattice parameters, chemical composition, oxidation states of elements and microstructure of the catalysts. Here, the CO oxidation reaction with varied CO : O 2 ratios (1 : 5, 1 : 1, and 1 : 0.5 (stoichiometric)) was used as a model reaction to describe the relationship between the structure and the catalytic performance of each catalyst. Based on the characterization results of Ce y Zr 1−y O 2 materials, the addition of Zr causes physical and chemical changes to the overall material. The inclusion of Zr into the structure of CeO 2 decreased the overall lattice parameter of the catalyst and increased the number of defect sites. The prepared catalysts were able to reach complete CO conversion (∼100%) at low temperature conditions (<200 °C), each showing varied reaction activity. The difference in CO oxidation activity was then analyzed and related to the structure, wherein Cu loading, surface oxygen vacancies, reduction–oxidation ability, CuO x –support interaction and oxygen mobility in the catalyst were the crucial descriptors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bypassing sulfides: comparing the morphology and performance of solution processed Cu(In,Ga)Se 2 films prepared via two selenide molecular precursor routes

Solution-processing of thin-film photovoltaics offers an alternative to vacuum-deposition based approaches. The amine–thiol reactive solvent system has become a focal point for the solution-processing of chalcogenide species, owing to the convenience of precursor preparation and comparatively high performance of prepared devices. Selenide species prepared via the amine–thiol route typically progress through a sulfide intermediate phase, and as such are commonly afflicted with sulfur and carbon impurities along- side the presence of a carbonaceous fine-grained layer. Here, two routes of preparing films directly to a selenide phase are examined; first by the co-dissolution of selenium in an amine–thiol solution and second via the novel use of reactive alkylammonium polyselenides. Lamella are cut from these selenide precursor films and final devices, and STEM-EDX and TEM are used to characterize film morphology and secondary phases. A champion device efficiency of 11.2% is reported for the novel polyselenide route, and clear paths of improvement are identified.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multi-Analytical Investigation of Arsenical Transfer and Remediation on Nineteenth-Century Green Books

Books containing heavy metals, specifically nineteenth-century green arsenical books, have been identified at Northwestern University Libraries, raising health and safety concerns related to handling. Copper acetoarsenite pigments, such as emerald green, were detected on book covers, decorative page edges, labels, and other components using noninvasive analytical techniques including X-ray fluorescence (XRF), Raman spectroscopy, and Fourier-transform infrared (FTIR) spectroscopy. Further examination of selected volumes using synchrotron radiation (SR) techniques revealed pigment migration, degradation, and arsenic transfer to adjacent books. This paper expands on initial findings through two related experiments. The first explored the transfer of arsenic using mechanical friction; Staedtler Mars® white vinyl erasers rubbed on arsenical books generated crumbs which were analyzed via scanning electron microscopy–energy-dispersive X-ray spectroscopy (SEM-EDX). Results confirmed the transfer of arsenic, copper, and lead, with decorative page edges being particularly prone to shedding arsenic onto other materials. The second experiment tested remediation methods on a book contaminated by prolonged exposure to an arsenical neighbor. Surface cleaning using erasers and a vacuum removed flecks of pigment but did not eliminate non-chromophoric arsenic as confirmed by SR analyses, which highlights its presence either as a degradation product embedded within the paper or present in the paper as part of its production process. Findings demonstrate the acute toxicity risk posed by arsenical books and support the need for safe handling protocols. However, materials with only trace levels of arsenic embedded during production may pose a lower risk of transfer. Cross contamination beyond prolonged direct contact appears limited. These results highlight critical considerations for library preservation practices and future research on arsenic in historical materials.

arsenic↗
DOE OSTI2024

NEWTS Integrated Dataset (version 1.0)

The National Energy Water Treatment and Speciation (NEWTS) Integrated Dataset v1.0 provides water researchers, community leaders, and regulators with a unified and standardized energy-related wastewater stream database. This resource is derived from 27 state and federal entities, and scientific publications, and contains more than 400,000 sample records, many of which also provide geospatial information. The dataset includes data for several different energy-related wastewater types including produced water, other oil and gas wastewaters, mine drainage, coal ash leachate, and power plant wastewater. The NEWTS Integrated Dataset was built to support environmentally prudent decision-making, explore treatment opportunities, and identify potential critical mineral sources. A subset of this novel resource is also featured on NETL NEWTS State-Level Database Dashboard. Additional data can be found in the NEWTS EDX Group and the NEWTS Federal Database Dashboard.

abandoned mine drainage↗
DOE OSTI2024

Carbon Transport and Storage Planning and Viability Support Tools

The EDX disCO2ver Carbon Transport and Storage Planning and Viability Support Tools are made up of the Carbon Storage Planning Inquiry Tool (CS PlanIT, Justman et al. 2024) and the Carbon Storage Technical Viability Approach Support Tool (CS TVA). Together, these tools support data access to support understanding data availability to support planning efforts for carbon transport and storage. The Carbon Storage Planning Inquiry Tool (CS PlanIT) is an online web mapping application designed to help users explore, query, and evaluate multiple data layers to support and accelerate carbon storage resource and feasibility assessments and planning efforts. CS PlanIT currently contains a range of datasets associated with geologic, technical, and infrastructure factors. The data sets can be filtered geographically for an area of interest to update statistics and charts within the dashboard. The dashboard is divided into different sections called widgets, relating to different steps in the carbon storage planning process. The resources in this submission include a link to PlanIT, as well as a data catalog and link to user documentation. The original citation for the CS PlanIT tool, which has now been integrated into the toolset here, was: - Devin Justman, Scott Pantaleone, Maneesh Sharma, Lucy Romeo, Paige Morkner, CS PlanIT (Carbon Storage Planning Inquiry Tool) , 6/28/2024, https://edx.netl.doe.gov/dataset/cs-planit-carbon-storage-planning-inquiry-tool, DOI: 10.18141/2377953 The Carbon Storage Technical Viability Approach Support (CS TVA) Tool displays spatial data availability for the many components of Geologic Carbon Storage (GCS) technical viability assessment (Creason al 2025). Identifying sites suitable for GCS requires evaluating the intersection of myriad factors, including reservoir conditions, subsurface and surface hazards, infrastructure requirements, and energy community metrics. The technical viability of a site can only be confirmed for instances where all these factors have data available, and where those data support viability. Additional Resources related to the Technical Viability Assessment Tool: - Julia Mulhern, Casey White, Araceli Lara, Neyda Cordero Rodriguez, Zachary Jackson, Jacob Shay, Gabriel Creason, MacKenzie Mark-Moser, Paige Morkner, Kelly Rose, Carbon Storage Technical Viability Approach (CS TVA) Database, 3/26/2025, https://edx.netl.doe.gov/dataset/edx4ccs-carbon-storage-technical-viability-approach-database , DOI:10.18141/1984655 - Julia Mulhern, MacKenzie Mark-Moser, Gabriel Creason, Casey White, Araceli Lara, Neyda Cordero Rodriguez, Zach Jackson, Paige Morkner, Kelly Rose, Carbon Storage Technical Viability Approach (CS TVA) Matrix, 3/27/2025, https://edx.netl.doe.gov/dataset/carbon-storage-technical-viability-approach-cs-tva-matrix , DOI: 10.18141/2539979 - Gabriel Creason, Zach Jackson, Neyda Cordero Rodriguez, Julia Mulhern, Casey White, Araceli Lara, MacKenzie Mark-Moser, Paige Morkner, Kelly Rose, Carbon Storage Technical Viability Approach (CS TVA) Data Availability Results Database, 3/27/2025, https://edx.netl.doe.gov/dataset/carbon-storage-technical-viability-approach-cs-tva-data-availability-results-database, DOI:10.18141/2538557

Carbon storage↗
DOE OSTI2025

SOC Microstructural Property Estimator

This pre-trained ML model is a tool that uses basic compositional parameters for porous solid oxide cell (SOC) electrodes - the phase fractions and mean particle/pore diameters – as inputs and uses them to estimate additional electrochemical performance parameters: active (i.e., connected) TPB density, all tortuosity factors, and phase pair specific interfacial areas. The electrode is assumed to be composed of two solid phases and a pore phase. The property calculations are performed using neural network regression models trained on a large bank of synthetic electrode microstructural data that NETL has generated using the program DREAM3D (that bank is also hosted on EDX: https://edx.netl.doe.gov/dataset/soc-synthetic-microstructure-bank). This means the generated parameters are based on training from actual measured properties from 3D microstructures, not estimated from geometric simplifications. This tool was developed and is intended to replace percolation theory calculations in models that use hypothetical electrode properties. An example use case would be running SOC performance simulations across a parametric sweep of electrode designs (e.g., varying phase fractions and particle sizes) and assessing how it impacts the electrochemical performance of the SOC. Within the parameter space of the training data (statistics of that parameter space is provided in the readme file), this model achieves sub-5% mean absolute percent errors, an order of magnitude less error than percolation theory across the same parameter space. However, be aware that this tool was developed with parametric simulations in mind, and users are encouraged to assess accuracy for their own specific use case rather than taking accuracy metrics at face value. More info, including a usage guide, is in the included readme file. This tool should be cited with the DOI number provided.

Electrode Microstructure↗
DOE OSTI2026

NEWTS Integrated Dataset (version 2.0)

The National Energy Water Treatment and Speciation (NEWTS) Integrated Dataset v2.0 provides water researchers, community leaders, regulators, and industry stakeholders with a unified and standardized energy-process wastewater chemistry database. This resource is derived from 39 state and federal entities, and scientific publications, and contains more than 700,000 sample records, many of which also provide geospatial information. The dataset includes chemistry data for several different energy-process wastewater types including produced water, other oil and gas wastewaters, mine drainage, coal ash leachate, power plant wastewater, and geothermal fluids. The NEWTS Integrated Dataset was built to support prudent decision-making, characterization of potential critical mineral sources, and modeling of treatment and valorization options. A subset of this novel resource is also featured on the NEWTS State-Level Database Dashboard. Additional data can be found in the NEWTS EDX Group and the NEWTS Federal Database Dashboard.

AMD↗
DOE OSTI2024

Computed Tomography Scanning and Geophysical Measurements of UW Enterprises LP 1-250512-129 Well in Southwestern Indiana

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia, were used to characterize Illinois Basin core of the Upper Devonian-Early Mississippian New Albany Shale Formation from Posey County, Indiana. The primary impetus of this work is a collaboration between Indiana Geological and Water Survey at Indiana University Bloomington, NETL, and Woolsey Operating Company LLC to characterize and make publicly available core information from the New Albany Shale of the Illinois Basin. Core characterization of this unconventional oil/gas well will aid in understanding the lithology changes and the fracture complexity of the New Albany Shale. There is a potential for this formation to be developed in the future for critical mineral and rare earth element (CM/REE) extraction. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/uw-enterprises. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on this core. None of the equipment used was suitable for direct visualization of the pore space in the fine-grained structures studied; however, fractures, discontinuities, and millimeter-scale features were readily detectable with the methods tested. Imaging with the NETL medical CT scanner was performed on the entire core. Targeted higher resolution CT scanning of select sections was performed with NETL’s industrial and micro-CT scanner. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

58 GEOSCIENCES↗
DOE OSTI2024

Multi-Scale 3D Imaging for Machine Learning Property Upscaling: Mt. Simon Sandstone Case Study

Petrographic properties of principal target reservoirs for carbon sequestration, such as the Mt. Simon Sandstone, are relevant to broad interest groups. The Mt. Simon Sandstone is a deep, saline, regionally extensive Cambrian sandstone, overlain by low permeability sealing formations, making it one of the viable geologic carbon storage reservoirs in the Midwestern US. Its thickness (exceeding 2400 ft in some localities), depth, and lateral extent, combined with high porosity and permeability make it a high-priority target of multiple ongoing geologic carbon sequestration efforts in the United States of America. The National Energy Technology Laboratory in Morgantown, West Virginia, has been engaged in characterization efforts of the Mt. Simon for over a decade, with a strong focus on Computed Tomographic data acquisition. Data generated during this period has been hitherto not accessible to the public. This archival effort focused on preservation of historical CT data and associated metadata, and facilitating their accessibility, culminating with the publication of the entire dataset on NETL’s Energy Data eXchange (EDX) and the associated Gill et. al (2024) paper.

Gill, Magdalena K.↗
DOE OSTI2024

Carbon Storage Core Characterization Efforts at NETL

The multi-scale Computed Tomography (CT) and core flow facility in the Geocharacterization Laboratory at NETL, Morgantown yields porosity, permeability, and fracture properties of rock core samples obtained from the subsurface while maintaining the integrity of the sample. Additionally, geophysical bulk rock properties are analyzed with the laboratory’s GeoTEK multi-sensor core logger in a comparable fashion to downhole methods. NETL researchers collaborate with stakeholders within the carbon storage, oil and gas, and critical minerals sectors. Since 2017, over 1.88 miles of core have been analyzed within the laboratory and all data is publicly available through the Technical Report Series (TRS) on the Energy Data eXchange (EDX). Additionally, the website, RokBase, was curated to extrapolate and visualize the high-resolution data from field operations. The characterization of the Lively Grove #1 (LG#1) well provides a case study into the full capabilities of the Geocharacterization Laboratory. During the comprehensive study of LG#1 ~1-2 mm in diameter, vertical to bedding, cylindrical structures were identified throughout the St. Peter Formation. These structures are pervasive throughout the St. Peter Formation at depth and are characterized as the trace fossil, Skolithos.

Isom, Shelby L↗
DOE OSTI2024

Carbon Storage Planning Inquiry Tool (CS PlanIT)

The CS PlanIT provides stakeholders with easy access to geographically explore, query, and evaluate multiple data layers for a user-defined area of interest, with the goal to accelerate carbon storage resource, feasibility assessments, and planning efforts. The data within CS PlanIT are arranged and categorized to assess each stage of the Carbon Capture and Storage supply chain, from CO2 (Carbon Dioxide) emission sources, critical energy infrastructure (including transport), to CO2 geologic storage and sink locations. Furthermore, stakeholders can gain insights into community and environmental impacts, as CS PlanIT leverages Environmental Justice and Social Justice (EJSJ) and natural hazard datasets. Additionally, documentation in the form of an interactive ArcGIS story map and data catalog are included within the EDX publication to provide user’s information to better understand and explain CS PlanIT’s layout, functions, and associated data sets.

Justman, Devin M.↗
DOE OSTI2024

GEESS as a Mechanism to Facilitate the Commercialization of Geologic Carbon Sequestration

This is a presentation featuring an overview of the Geoanalytical Economic Evaluation of Saline Storage (GEESS) project and latest results. The GEESS project has worked towards characterizing 57 geologic saline formations targeted for geologic carbon sequestration (GCS) using publicly available datasets. The GEESS system consists of high spatial resolution datasets (up to a 5 km grid spacing) that characterize critical geologic parameters such as depth, thickness, porosity, permeability, fracture pressure, and more. Further, GEESS geologic data were exercised using the FECM/NETL Saline Storage Cost Model (CO2_S_COM) to estimate CO2 plume sizes and the first-year break-even price of CO2 at the grid point level. GEESS is now available on NETL’s Energy Data Exchange (EDX).

Eppink, Jeffrey↗
DOE OSTI2024

Computed Tomography Scanning and Geophysical Measurements of the Integrated Mid-Continent Stacked Carbon Storage Hub Sleepy Hollow Reagan Unit 86A Well

The Computed Tomography (CT) facilities, the Multi-Sensor Core Logger (MSCL), and the Geologic Storage Core Flow laboratory at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia and Pittsburgh, Pennsylvania were used to characterize a core through Upper Pennsylvanian strata (limestones, mudstones, and sandstones) from the Sleepy Hollow Reagan Unit (SHRU) 86A well in southwest-central Nebraska. The Integrated Mid-Continent Stack Carbon Storage Hub (IMSCS-HUB) core from the vertical well was obtained as part of the Department of Energy’s (DOE) effort to assess the feasibility of stacked storage complexes in Nebraska and Kansas to support a commercial-scale CO2 storage hub. The Sleepy Hollow Field (SHF) is one of three sites within the IMSCS-HUB corridor. Bulk scans of core were obtained from the IMSCS-HUB SHRU 86A well. This report, and the associated scans, include detailed datasets not typically made available to the public. The data sets presented in this report can be accessed from NETL's Energy Data eXchange (EDX) online system.

58 GEOSCIENCES↗
DOE OSTI2024

Utilizing Ontology Structures To Curate the DOE-NETL Carbon Storage Open Database

The specialized ontology for the Carbon Storage Open Database will enable more rapid assignment of appropriate symbology standards for visualization improvements, optimize topical and spatial tagging within keywords, and improve flexibility for utilization in existing data repositories such as EDX. This effort also aims to establish a foundation for utilization of ontologies for organization of other data related to geologic carbon storage in the future.

Martin, Abigail↗
DOE OSTI2024

The Integration and Mapping of an Open-Source National Well Resource to Inform Geologic Carbon Storage Site Selection and Risk Prevention: The CO2-Locate Database

Geologic carbon storage (GCS) offers a way to capture and permanently store CO₂ from fossil fuel operations in underground geologic structures, aiding in the transition to a carbon-neutral energy economy. However, CO₂ injection sites can experience gas leakage through existing wells that penetrate storage reservoirs, making knowledge of well locations and characteristics crucial for permitting, infrastructure reusability, and risk assessment in GCS. Currently, public wellbore data from state, federal, and tribal entities are inconsistent and fragmented, with gaps and redundancies. To address this, the National Energy Technology Laboratory (NETL) developed CO2-Locate, an open-source, geospatial database and online application. CO2-Locate integrates over 50 data sources from federal, state, and tribal entities, creating a standardized national well database. Funded by the Bipartisan Infrastructure Law, the database is publicly available through the Energy Data eXchange (EDX) and viewable via the CO2-Locate web mapping application. This tool allows users to query, filter, and visualize well data to support GCS planning, permitting, and risk assessments. This presentation covers the methods used to create CO2-Locate, including data acquisition, processing, attribute mapping, and integration, much of which is automated for future updates. The web mapping application and its role in GCS site selection will also be discussed.

Tetteh, Daniel A.↗
DOE OSTI2024

DOE CO2 Transport Modeling

Presentation provided during the DOE Panel at the 2024 International Pipeline Conference. Presentation centers on the Smart CO2 Transport-Route Planning Tool, which is currently available for download on EDX.

Romeo, Lucy↗
DOE OSTI2024

CO2-Locate: A Dynamic Database and Tool for Accessing National Oil and Gas Well Data to Inform Carbon Storage Projects

The CO2-Locate Database is a growing compilation of publicly available wellbore resources that have been merged based on common attributes across data sources with an attribute schema developed to be consistent across disparate resources, reduce data gaps, and eliminate record redundancy. The first version of CO2-Locate has been published to Energy Data eXchange (EDX) and includes the integrated public wells dataset as well as additional geospatial summary layers of key wellbore characteristics to protect proprietary resources. Additionally, the CO2-Locate database has been deployed into a web application, enabling easy access, data filtering capabilities, and visualization of U.S. wellbore infrastructure by stakeholders to inform injection site selection and risk assessments.

Dyer, Alec S. [NETL Site Support Contractor, Natio↗
DOE OSTI2024

FECM/NETL CO 2 Saline Storage Cost Model (2024): User’s Manual

The U.S. Department of Energy's (DOE) Office of Fossil Energy and Carbon Management (FECM), in collaboration with the National Energy Technology Laboratory (NETL), has developed the FECM/NETL CO 2 Saline Storage Cost Model (CO2_S_COM). This Excel-based tool provides a comprehensive framework for estimating the costs and breakeven prices associated with storing carbon dioxide (CO 2 ) in deep saline formations. Designed from the perspective of a CO 2 storage site owner, the CO2_S_COM incorporates four integrated modules—project management, financial analysis, activity cost estimation, and geological evaluation—to deliver fast, robust, and actionable insights for evaluating project finances. This is the user's manual for CO2_S_COM. The model may be accessed at this link: FECM/NETL CO2 Saline Storage Cost Model CO2_S_COM 2024 (v4) - Submissions - EDX

54 ENVIRONMENTAL SCIENCES↗