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At least 757 records · Page 42

Ionic Liquids for Direct Air Capture of CO 2 using Electric‐Field‐Mediated Moisture Gradient Process (Final Technical Report)

The final report provides executive summary, a list of publications, and information on training graduate students and postdoctoral researchers. We carried out computational and experimental research on understanding molecular-level mechanism of how CO 2 is absorbed in a solution containing ethylene glycol as the solvent and KOH as the salt in the presence of ionic liquids and under the influence of electric field. In doing so, we developed an automated high-throughput method which allowed us to measure the solubility of CO 2 in a large number of ionic liquids, considerably speeding up the CO 2 solubility measurement. We also demonstrated how varying the concentration of ionic liquids in ethylene glycol can result in a maximum in ionic conductivity. Reaction of CO 2 and subsequent release results in a 50% reduction when the process is operated at an ionic liquid-ethylene glycol concentration yielding maximum ionic conductivity amongst all the ionic liquid-ethylene glycol combinations studied as a part of this research. We utilized machine learning models to identify unique ionic liquid-solvent combinations with ionic conductivity much higher than that measured for ionic liquid-ethylene glycol combinations. We demonstrated that the rate of CO 2 reaction with KOH in ethylene glycol can be optimized with the type of ionic liquid and its concentration. Overall, the research led to publication of 10 peer-reviewed research articles and several presentations at national conferences. We are also in the process of developing additional manuscripts based on the research carried out as a part of this project. Two graduate students and two postdoctoral researchers were supported on the funding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low Temperature Water-Gas Shift: Enhancing Stability through Optimizing Rb Loading on Pt/ZrO 2

Recent studies have shown that appropriate levels of alkali promotion can significantly improve the rate of low-temperature water gas shift (LT-WGS) on a range of catalysts. At sufficient loadings, the alkali metal can weaken the formate C–H bond and promote formate dehydrogenation, which is the proposed rate determining step in the formate associative mechanism. In a continuation of these studies, the effect of Rb promotion on Pt/ZrO 2 is examined herein. Pt/ZrO 2 catalysts were prepared with several different Rb loadings and characterized using temperature programmed reduction mass spectrometry (TPR-MS), temperature programmed desorption (TPD), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), an X-ray absorption near edge spectroscopy (XANES) difference procedure, extended X-ray absorption fine structure spectroscopy (EXAFS) fitting, TPR-EXAFS/XANES, and reactor testing. At loadings of 2.79% Rb or higher, a significant shift was seen in the formate ν(CH) band. The results showed that a Rb loading of 4.65%, significantly improves the rate of formate decomposition in the presence of steam via weakening the formate C–H bond. However, excessive rubidium loading led to the increase in stability of a second intermediate, carbonate and inhibited hydrogen transfer reactions on Pt through surface blocking and accelerated agglomeration during catalyst activation. Optimal catalytic performance was achieved with loadings in the range of 0.55–0.93% Rb, where the catalyst maintained high activity and exhibited higher stability in comparison with the unpromoted catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Report from the Passive Microwave Data Set Management Workshop

Passive microwave data sets are some of the most important data sets in the Earth Observing System Data and Information System (EOSDIS), providing data as far back as the early 1970s. The widespread use of passive microwave (PM) radiometer data has led to their collection and distribution over the years at several different Earth science data centers. The user community is often confused by this proliferation and the uneven spread of information about the data sets. In response to this situation, a Passive Microwave Data Set Management Workshop was held 17 ]19 May 2011 at the Global Hydrology Resource Center, sponsored by the NASA Earth Science Data and Information System (ESDIS) Project. The workshop attendees reviewed all primary (Level 1 ]3) PM data sets from NASA and non ]NASA sensors held by NASA Distributed Active Archive Centers (DAACs), as well as high ]value data sets from other NASA ]funded organizations. This report provides the key findings and recommendations from the workshop as well as detailed tabluations of the datasets considered.

Armstrong, Ed↗

Clean Energy to Communities: Gap Region Outreach Project

The Clean Energy to Communities (C2C) program provides expertise and tools to local and regional governments, Tribes, community-based organizations, municipal utilities, and rural electric cooperatives to help them achieve their clean energy goals. The U.S. Department of Energy (DOE) launched C2C in 2022, following engagement with more than 150 stakeholders representing 95 communities in 40 states and 6 Tribes. The program offers three levels of support: expert match, peer-learning cohorts, and in-depth partnerships. In its first year, C2C worked with over 150 communities. To ensure broad participation, the National Renewable Energy Laboratory (NREL) examined regional representation. This analysis revealed that four regions are under-represented in program participation: Gulf South, Appalachia, Midwest, and Northern Plains. To help address these gaps, NREL led an effort to identify barriers faced by potential C2C participants from these regions and develop strategies to facilitate participation. This document summarizes findings from this effort and provides recommendations for program changes.

C2C↗

Establishing Butyribacterium methylotrophicum as a Platform Organism for the Production of Biocommodities from Liquid C 1 Metabolites

Using the Wood-Ljungdahl pathway, acetogens can nonphotosynthetically fix gaseous C 1 molecules, preventing them from entering the atmosphere. Many acetogens can also grow on liquid C 1 compounds such as formate and methanol, which avoid the storage and mass transfer issues associated with gaseous C 1 compounds. Substrate redox state also plays an important role in acetogen metabolism and can modulate products formed by these organisms. Butyribacterium methylotrophicum is an acetogen known for its ability to synthesize longer-chained molecules such as butyrate and butanol, which have significantly higher values than acetate or ethanol, from one-carbon (C 1 ) compounds. We explored B. methylotrophicum’s C 1 metabolism by varying substrates, substrate concentrations, and substrate feeding strategies to improve four-carbon product titers. Our results showed that formate utilization by B. methylotrophicum favored acetate production and methanol utilization favored butyrate production. Cofeeding of both substrates produced a high butyrate titer of 4 g/liter when methanol was supplied in excess to formate. Testing of formate feeding strategies, in the presence of methanol, led to further increases in the butyrate to acetate ratio. Mixotrophic growth of liquid and gaseous C 1 substrates expanded the B. methylotrophicum product profile, as ethanol, butanol, and lactate were produced under these conditions. We also showed that B. methylotrophicum is capable of producing caproate, a six-carbon product, presumably through chain elongation cycles of the reverse β-oxidation pathway. Furthermore, we demonstrated butanol production via heterologous gene expression. Finally, our results indicate that both selection of appropriate substrates and genetic engineering play important roles in determining titers of desired products.

09 BIOMASS FUELS↗

NASA Software Engineering Benchmarking Study

To identify best practices for the improvement of software engineering on projects, NASA's Offices of Chief Engineer (OCE) and Safety and Mission Assurance (OSMA) formed a team led by Heather Rarick and Sally Godfrey to conduct this benchmarking study. The primary goals of the study are to identify best practices that: Improve the management and technical development of software intensive systems; Have a track record of successful deployment by aerospace industries, universities [including research and development (R&D) laboratories], and defense services, as well as NASA's own component Centers; and Identify candidate solutions for NASA's software issues. Beginning in the late fall of 2010, focus topics were chosen and interview questions were developed, based on the NASA top software challenges. Between February 2011 and November 2011, the Benchmark Team interviewed a total of 18 organizations, consisting of five NASA Centers, five industry organizations, four defense services organizations, and four university or university R and D laboratory organizations. A software assurance representative also participated in each of the interviews to focus on assurance and software safety best practices. Interviewees provided a wealth of information on each topic area that included: software policy, software acquisition, software assurance, testing, training, maintaining rigor in small projects, metrics, and use of the Capability Maturity Model Integration (CMMI) framework, as well as a number of special topics that came up in the discussions. NASA's software engineering practices compared favorably with the external organizations in most benchmark areas, but in every topic, there were ways in which NASA could improve its practices. Compared to defense services organizations and some of the industry organizations, one of NASA's notable weaknesses involved communication with contractors regarding its policies and requirements for acquired software. One of NASA's strengths was its software assurance practices, which seemed to rate well in comparison to the other organizational groups and also seemed to include a larger scope of activities. An unexpected benefit of the software benchmarking study was the identification of many opportunities for collaboration in areas including metrics, training, sharing of CMMI experiences and resources such as instructors and CMMI Lead Appraisers, and even sharing of assets such as documented processes. A further unexpected benefit of the study was the feedback on NASA practices that was received from some of the organizations interviewed. From that feedback, other potential areas where NASA could improve were highlighted, such as accuracy of software cost estimation and budgetary practices. The detailed report contains discussion of the practices noted in each of the topic areas, as well as a summary of observations and recommendations from each of the topic areas. The resulting 24 recommendations from the topic areas were then consolidated to eliminate duplication and culled into a set of 14 suggested actionable recommendations. This final set of actionable recommendations, listed below, are items that can be implemented to improve NASA's software engineering practices and to help address many of the items that were listed in the NASA top software engineering issues. 1. Develop and implement standard contract language for software procurements. 2. Advance accurate and trusted software cost estimates for both procured and in-house software and improve the capture of actual cost data to facilitate further improvements. 3. Establish a consistent set of objectives and expectations, specifically types of metrics at the Agency level, so key trends and models can be identified and used to continuously improve software processes and each software development effort. 4. Maintain the CMMI Maturity Level requirement for critical NASA projects and use CMMI to measure organizations developing software for NASA. 5.onsolidate, collect and, if needed, develop common processes principles and other assets across the Agency in order to provide more consistency in software development and acquisition practices and to reduce the overall cost of maintaining or increasing current NASA CMMI maturity levels. 6. Provide additional support for small projects that includes: (a) guidance for appropriate tailoring of requirements for small projects, (b) availability of suitable tools, including support tool set-up and training, and (c) training for small project personnel, assurance personnel and technical authorities on the acceptable options for tailoring requirements and performing assurance on small projects. 7. Develop software training classes for the more experienced software engineers using on-line training, videos, or small separate modules of training that can be accommodated as needed throughout a project. 8. Create guidelines to structure non-classroom training opportunities such as mentoring, peer reviews, lessons learned sessions, and on-the-job training. 9. Develop a set of predictive software defect data and a process for assessing software testing metric data against it. 10. Assess Agency-wide licenses for commonly used software tools. 11. Fill the knowledge gap in common software engineering practices for new hires and co-ops.12. Work through the Science, Technology, Engineering and Mathematics (STEM) program with universities in strengthening education in the use of common software engineering practices and standards. 13. Follow up this benchmark study with a deeper look into what both internal and external organizations perceive as the scope of software assurance, the value they expect to obtain from it, and the shortcomings they experience in the current practice. 14. Continue interactions with external software engineering environment through collaborations, knowledge sharing, and benchmarking.

Rarick, Heather L.↗

Triplet Management at Ligand-Perovskite Interface to Enhanced Photovoltaics Performance

Aromatic organic molecules are widely used as passivators in perovskite solar cells (PSCs). Efforts have been devoted to improving the energy alignments, band edge states, and defect passivation functionalities. However, potential energy loss through triplet states in such conjugated molecules has not been investigated in the past. Here, we report the observation of charge transfer from FAPbI 3 to the triplet state of a pyrene (Pyr)-based cationic ligand. Such a potential loss channel can be suppressed via delicate triplet management in polycyclic aromatic compounds. Interestingly, a subtle structural modification from Pyr to the triphenylene (TP) core gave rise to shallower triplets that prohibit electron transfer from perovskites. This strategy has led to TP-passivated PSCs achieving an enhanced power conversion efficiency (PCE) of 24.69% from 23.10% in Pyr-passivated counterparts. Moreover, the devices retained above 80% initial PCE after 4000 h of light soaking, which likely benefited from the reduced triplet electron trapping at the ligand-perovskite interface.

14 SOLAR ENERGY↗

The Effects of Polyolefin Structure and Source on Pyrolysis-Derived Plastic Oil Composition

Seven types of plastics were pyrolyzed in a fluidized bed reactor: post-consumer recycled (PCR) high-density polyethylene (HDPE), PCR polypropylene (PP), virgin resins of varying molecular weights of HDPE, virgin resins of low-density polyethylene (LDPE), linear low-density polyethylene (LLDPE), and (PP). Pyrolysis produced non-condensable gases (C1-C3), liquid phase products (C4-C40), and solids (C40+ and chars), with alkane, alkene, alkadiene, aromatic, and multi-cycloaromatics as the predominant compounds. Polymer structure had the greatest impact on product distribution, with minimal influence from molecular weight. Branches in polyethylene (PE) acted as thermal defects initiating degradation. Higher branch density in PE led to increased concentrations of aromatics, branched alkanes, and internal alkenes. PP and PE exhibited distinct degradation mechanisms, with PP requiring less energy for decomposition and yielding more oil. Here, pyrolysis oil from PCR HDPE and PCR PP contained a higher proportion of branched compounds. Additives in PCR plastics may promote isomerization during pyrolysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Single-Volume Scatter Camera

The multi-institution Single-Volume Scatter Camera (SVSC) collaboration led by Sandia National Laboratories (SNL) is developing a compact, high-efficiency double-scatter neutron imaging system. Kinematic emission imaging of fission-energy neutrons can be used to detect, locate, and spatially characterize special nuclear material. Neutron-scatter cameras, analogous to Compton imagers for gamma ray detection, have a wide field of view, good event-by-event angular resolution, and spectral sensitivity. Existing systems, however, suffer from large size and/or poor efficiency. We are developing high-efficiency scatter cameras with small form factors by detecting both neutron scatters in a compact active volume. This effort requires development and characterization of individual system components, namely fast organic scintillators, photodetectors, electronics, and reconstruction algorithms. In this presentation, we will focus on characterization measurements of several SVSC candidate scintillators. The SVSC collaboration is investigating two system concepts: the monolithic design in which isotropically emitted photons are detected on the sides of the volume, and the optically segmented design in which scintillation light is channeled along scintillator bars to segmented photodetector readout. For each of these approaches, we will describe the construction and performance of prototype systems. We will conclude by summarizing lessons learned, comparing and contrasting the two system designs, and outlining plans for the next iteration of prototype design and construction.

Manfredi, Juan↗

Aerial and Processed Model Data Representing As-built Conditions in Coastal Port Arthur, Texas in May 2025

This dataset was collected by the Co-Design Team of the Southeast Texas Urban Integrated Field Lab, a research initiative led by the University of Texas at Austin and funded by the U.S. Department of Energy. The broader project focuses on developing climate-resilient design solutions for the Beaumont–Port Arthur region, with more information available at www.setx-uifl.org. Our team conducted aerial surveys of the Port Arthur coastal neighborhood in May 2025, before the start of construction scheduled for Summer 2026. These pre-construction datasets are designed to facilitate comparative analyses, including pre- and post-construction assessments and simulated inundation scenario evaluations. Aerial images were captured using DroneDeploy autonomous flight systems, with imagery processed through the DroneDeploy engine. All original aerial photographs are provided in JPG format and organized in zipped folders by area. The processed data package includes: 3D surface models Orthomosaics Geospatial and topographic mappings Point clouds For guidance on file contents, structure, and recommended usage, please refer to the included README file.

2D mapping↗

R&D to Ensure a Scientific Basis for Qualification Tests and Standards (Final Report)

Project return on investment in a photovoltaic (PV) system depends increasingly on maintaining high energy yields, and the system lifetime is a major factor in levelized cost of electricity (LCOE). Thus, the rate of PV deployment and the success of these assets depends upon reliable long-term power generation. The overarching objective of this program is to improve photovoltaic (PV) module reliability via development of tests and standards. Where reliability problems or risk are discovered, we can design tests to ensure that these liabilities don't affect future generations of products. Customers can use these tests to understand which products are susceptible to certain degradation mechanisms, and manufacturers can use the tests to design unwanted characteristics out of their products. The work under this program identifies PV reliability needs, performs characterization that provides scientific understanding of targeted degradation mechanisms, and translates those data into practical and predictive test protocols and standards. Major accomplishments include: A model for polarization-type potential induced degradation (PID-p) was developed and validated against experimental data. NREL is currently leading a new edition of IEC 62804-1 for PID detection. PID-p can cause large losses in current and voltage for some module designs on cloudy days. Finite element modeling (FEM) and experiment was used to determine when cells crack in a module. It was shown that cells in landscape orientation are much more likely to crack than those on portrait orientation. Shortly thereafter, the first products with portrait-oriented cells were introduced. Studies of how to test for light and elevated temperature degradation (LeTID) culminated with the publication of IEC TS 63342. Software to predict the progression of LeTID was developed, validated, and made publicly available. Field validated tests and international standards for durability of PV module coatings abrasion, backsheets, and encapsulants were developed. Examples are IEC 62788-1-1, IEC 62788-2 ED2, IEC TS 62788-7-2, IEC 62788-7-3 ED1, IEC 63209-2. NREL led the development a high-temperature testing technical specification, and published guidelines that enable installers to determine whether higher-temperature testing is needed, simply based on location and mounting configuration. In a number of our case studies, variations in the bills of materials or workmanship have been associated with variations in reliability. These observations emphasize the importance of quality assurance to reliability. A framework for criticality (i.e. Pareto) analysis was developed and published. The framework helps us and other researchers determine what problems should be addressed for reliability research to have the biggest industry impact. NREL continues to participate actively in international standards development and stakeholder engagement activities, including organizing an annual PV Reliability Workshop. These activities are important for ensuring we address issues that are relevant and timely, and that we convey our results to those who may benefit.

14 SOLAR ENERGY↗

The Nature of Extraterrestrial Amino Acids in Carbonaceous Chondrites and Links to Their Parent Bodies

Meteorites and samples returned from asteroids and comets provide an important record of the physical and chemical processes that occurred in the early solar system and represent some of the oldest solid materials currently available for laboratory analyses. The delivery of organic matter by extraterrestrial material to the early Earth could have been an important source of complex prebiotic organic molecules available for the emergence of life. Analyses of primitive carbonaceous chondrites over the last five decades have revealed a major insoluble organic component [1,2], as well as a complex and highly diverse suite of soluble organic molecules of prebiotic importance [3,4] that includes carboxylic acids, N-heterocycles, sugars, amino acids, amines, and many other organic molecules that have not yet been identified [5]. Amino acids continue to be a primary focus of many soluble organic analyses in carbonaceous chondrites because (1) these molecules are essential components of life (as the monomers of proteins), (2) they have structural diversity (multiple possible isomers) that can be used to help constrain formation mechanisms and parent body conditions, and (3) most amino acids identified in carbonaceous chondrites are chiral, a property that can be used to distinguish between amino acids of extraterrestrial and terrestrial origins. The degree of parent body hydrothermal alteration has been shown to have a major influence on the formation and destruction of amino acids in carbonaceous meteorites as observed in the measured abundances and molecular distributions [6]. Aqueous alteration in primitive asteroids could have also led to the preferential enrichment of some left-handed amino acids over their right-handed forms, an astounding discovery that suggests that the origin of life on Earth or elsewhere was biased toward left-handed amino acid homochirality [7,8]. This talk will give an overview of what is known about the amino acid composition of carbonaceous chondrites, present some key unanswered questions, and discuss how the analysis of samples returned from asteroids Ryugu and Bennu will further advance our understanding of parent body chemistry and potential contributions from carbonaceous asteroids to the origin of life on Earth or elsewhere.

Daniel P. Glavin↗

Realization of an Asymmetric Non‐Aqueous Redox Flow Battery through Molecular Design to Minimize Active Species Crossover and Decomposition

Abstract This communication presents a mechanism‐based approach to identify organic electrolytes for non‐aqueous redox flow batteries (RFBs). Symmetrical flow cell cycling of a pyridinium anolyte and a cyclopropenium catholyte resulted in extensive capacity fade due to competing decomposition of the pyridinium species. Characterization of this decomposition pathway enabled the rational design of next‐generation anolyte/catholyte pairs with dramatically enhanced cycling performance. Three factors were identified as critical for slowing capacity fade: (1) separating the anolyte–catholyte in an asymmetric flow cell using an anion exchange membrane (AEM); (2) moving from monomeric to oligomeric electrolytes to limit crossover through the AEM; and (3) removing the basic carbonyl moiety from the anolyte to slow the protonation‐induced decomposition pathway. Ultimately, these modifications led to a novel anolyte–catholyte pair that can be cycled in an AEM‐separated asymmetric RFB for 96 h with >95 % capacity retention at an open circuit voltage of 1.57 V.

Shrestha, Anuska↗

NASA Systems Engineering Research Consortium: Defining the Path to Elegance in Systems

The NASA Systems Engineering Research Consortium was formed at the end of 2010 to study the approaches to producing elegant systems on a consistent basis. This has been a transformative study looking at the engineering and organizational basis of systems engineering. The consortium has engaged in a variety of research topics to determine the path to elegant systems. In the second year of the consortium, a systems engineering framework emerged which structured the approach to systems engineering and guided our research. This led in the third year to set of systems engineering postulates that the consortium is continuing to refine. The consortium has conducted several research projects that have contributed significantly to the understanding of systems engineering. The consortium has surveyed the application of the NASA 17 systems engineering processes, explored the physics and statistics of systems integration, and considered organizational aspects of systems engineering discipline integration. The systems integration methods have included system exergy analysis, Akaike Information Criteria (AIC), State Variable Analysis, Multidisciplinary Coupling Analysis (MCA), Multidisciplinary Design Optimization (MDO), System Cost Modelling, System Robustness, and Value Modelling. Organizational studies have included the variability of processes in change evaluations, margin management within the organization, information theory of board structures, social categorization of unintended consequences, and initial looks at applying cognitive science to systems engineering. Consortium members have also studied the bidirectional influence of policy and law with systems engineering.

Watson, Michael D.↗

NASA Systems Engineering Research Consortium: Defining the Path to Elegance in Systems

The NASA Systems Engineering Research Consortium was formed at the end of 2010 to study the approaches to producing elegant systems on a consistent basis. This has been a transformative study looking at the engineering and organizational basis of systems engineering. The consortium has engaged in a variety of research topics to determine the path to elegant systems. In the second year of the consortium, a systems engineering framework emerged which structured the approach to systems engineering and guided our research. This led in the third year to set of systems engineering postulates that the consortium is continuing to refine. The consortium has conducted several research projects that have contributed significantly to the understanding of systems engineering. The consortium has surveyed the application of the NASA 17 systems engineering processes, explored the physics and statistics of systems integration, and considered organizational aspects of systems engineering discipline integration. The systems integration methods have included system energy analysis, Akaike Information Criteria (AIC), State Variable Analysis, Multidisciplinary Coupling Analysis (MCA), Multidisciplinary Design Optimization (MDO), System Cost Modeling, System Robustness, and Value Modeling. Organizational studies have included the variability of processes in change evaluations, margin management within the organization, information theory of board structures, social categorization of unintended consequences, and initial looks at applying cognitive science to systems engineering. Consortium members have also studied the bidirectional influence of policy and law with systems engineering.

Watson, Michael D.↗

Uncovering the dominant role of root metabolism in shaping rhizosphere metabolome under drought in tropical rainforest plants

Plant-soil-microbe interactions are crucial for driving rhizosphere processes that contribute to metabolite turnover and nutrient cycling. With the increasing frequency and severity of water scarcity due to climate warming, understanding how plant-mediated processes, such as root exudation, influence soil organic matter turnover in the rhizosphere is essential. In this study, we used 16S rRNA gene amplicon sequencing, rhizosphere metabolomics, and position-specific 13 C-pyruvate labeling to examine the effects of three different plant species (Piper auritum, Hibiscus rosa sinensis, and Clitoria fairchildiana) and their associated microbial communities on soil organic carbon turnover in the rhizosphere. Here, our findings indicate that in these tropical plants, the rhizosphere metabolome is primarily shaped by the response of roots to drought rather than direct shifts in the rhizosphere bacterial community composition. Specifically, the reduced exudation of plant roots had a notable effect on the metabolome of the rhizosphere of P. auritum, with less reliance on neighboring microbes. Contrary to P. auritum, H. rosa sinensis and C. fairchildiana experienced changes in their exudate composition during drought, causing alterations to the bacterial communities in the rhizosphere. This, in turn, had a collective impact on the rhizosphere's metabolome. Furthermore, the exclusion of phylogenetically distant microbes from the rhizosphere led to shifts in its metabolome. Additionally, C. fairchildiana appeared to be associated with only a subset of symbiotic bacteria under drought conditions. These results indicate that plant species-specific microbial interactions systematically change with the root metabolome. As roots respond to drought, their associated microbial communities adapt, potentially reinforcing the drought tolerance strategies of plant roots. These findings have significant implications for maintaining plant health and preference during drought stress and improving plant performance under climate change.

54 ENVIRONMENTAL SCIENCES↗

Development of Metal Boride/Carbide Precursors for MOCVD Applications

This report describes the proposed efforts for a three-year (CY23-25) program to develop refractory metal boride/carbide precursors for metal-organic chemical vapor deposition (MOCVD) applications. Reported are the CY24 results on the thermal processing of bis-cyclopentadienyl dialkyl and tetra-alkyl precursors to obtain metal carbide products. Precursors evaluated are commercially available. Materials were processed within in a custom-built MOCVD system at 1000 ⁰C, as well as in a hot isostatic press (HIP) at temperatures of 1000 ⁰C or 1650 ⁰C at pressures of 5000 psi. The products were identified as metal carbide, metal oxide, or a mixture of carbide and oxide phases depending on the starting material and process used. Density functional theory calculations were performed to determine the decomposition mechanism and to inform how ligand choice led to the products.

36 MATERIALS SCIENCE↗

Integrated Chemical and Microorganism Monitoring of Air Using Gas Chromatography/Ion Mobility Spectometry: Toward an Expanded-Use Volatile Organic Analyzer (VOA)

The work described in this research program originated with the choice by NASA of an ion mobility spectrometer for air quality monitoring on-board the international spacestation. Though the gas chromatograph-ion mobility spectrometer analyzer known as VOA met or exceeded expectations, limitations in the basic understanding of response and the utilization of foundational principles into usable technology was considered unacceptable. In this research program, a comprehensive model for the origins of mobility spectra was proposed, tested and verified. The principles considered responsible for the appearance of mobility spectra have now been elucidated through this project. This understanding has been applied in automated identification of mobility spectra using neural networks and routine procedures for this now exist. Finally, the limitation on linear range has been shown to be a technical limitation and not a fundamental limitation so that a hardware component was crafted to extend the linear range of a mobility spectrometer by 10X. This project has led to one Ph.D. dissertation and one MS thesis. In addition, over ten public presentations at professional meetings and six journal publications have resulted from this program of research. The findings are so plentiful that total analysis of the findings may require four to six years or more. The findings confirm that the decision to use VOA was sound and that the chemical and physical principles of mobility spectrometry are both understandable and predictable.

Eiceman, G. A.↗