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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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NASA NTRS2026

Towards an Improved Understanding of the Antarctic Coastal Zone and Its Contribution to Future Global Sea Level

Understanding the coastal zone of the Antarctic Ice Sheet (AIS), where it interacts with the Southern Ocean and warmer air masses, is crucial for predicting Antarctica's influence on the global climate and sea level. This region has multiple tipping mechanisms that could trigger large, rapid, and potentially irreversible changes in the AIS, the Southern Ocean and their global connections in the coming centuries. The AIS remains the largest source of uncertainty in future sea-level projections. Bed topography beneath the ice shelves and the coastal ice sheet is not yet well documented, and is a major source of this uncertainty. This review assesses current knowledge of the coastal zone and highlights methods to investigate it, including aerogeophysical surveys, ground- and ship-based measurements, satellite observations, and computer modeling. An ensemble analysis of published bed topography data sets identifies significant data gaps and their regional distribution, framed in the context of current ice-sheet behavior and potential instability. We propose scientific priorities and guidelines for future aerogeophysical surveys, advocating for a comprehensive, coordinated international effort to build a next-generation data set of Antarctic bed properties. Such an initiative would significantly advance understanding of the role of coastal processes in ice-sheet dynamics, reducing uncertainties in sea-level rise projections and improving predictions of future ocean and climate changes.

Kenichi Matsuoka↗

NASA NTRS2026

Performance Evaluation of Intravehicular Activity Spacesuit Without the Use of a Liquid Cooling Garment

The Orion Crew Survival Systems (OCSS) suit is equipped with safety technology that protects the crew during launch and re-entry and Intravehicular Activities (IVA). It was designed to be used with a Liquid Cooling Garment (LCG), an undergarment with tubes that circulate water to remove excess heat from a crew member. The objective of this study is to determine if the Modified Advanced Crew Escape Suit (MACES), which has very similar material, assembly, and pressure characteristics as the OCSS suit, can be used without the LCG to maintain the crew within their heat storage requirements where exceedances can lead to cognitive and physiological impairment. Testing was completed for both hot and cold environments where test subjects wore varying configurations of the MACES suit ensemble without the LCG. The tests were conducted in a temperature and humidity-controlled chamber with four test subjects ranging from extra small to large. Target metabolic rates were reached using an arm ergometer. To represent the different suit configurations seen in the concept of operations, the suit was tested with visor-down, visor-up, and without helmet and gloves. The test data was analyzed to determine how the environment, test subject size, metabolic rate, and suit configuration affected heat storage. Furthermore, the test data was used to correlate the METMAN model, a transient metabolic man program that simulates the heat transfer within a crew member’s body and from a crew member to the surrounding environment. The METMAN correlation showed good agreement between predicted heat storage and test data at the end of the test duration, with a coefficient of determination (R 2 ) value of 0.8999 for visor-down cases and R 2 of 0.8902 for visor-up and helmet off cases. A correlated METMAN model allows for the analysis and prediction of IVA suit performance without an LCG in additional scenarios.

Spacesuit↗

DOE OSTI2026

Open quantum system approach to inclusive jet production in heavy-ion collisions

We derive a factorization formula for inclusive jet production in heavy-ion collisions using the tools of Effective Field Theory (EFT). We show how physics at widely separated scales in this process can be systematically separated by matching to EFTs at successively lower virtualities. Owing to a strong scale separation, we recover a vacuum-like DGLAP evolution above the jet scale, while the additional low-energy scales induced by the medium effectively probe the internal structure of the jet. As a result, the cross section can be written as a series with an increasing number of subjets characterized by perturbative matching coefficients each of which is convolved with a distinct function. These functions encode broadening, medium-induced radiations as well as quantum interference such as the Landau-Pomeranchuk-Migdal effect and color coherence dynamics to all orders in perturbation theory. As a first application of this EFT framework, we investigate the case of an unresolved jet and show how the cross section can be factorized and fully separate the jet dynamics from the universal physics of the medium. To compare to the existing literature, we explicitly compute the medium jet function at next-to-leading order in the coupling and leading order in medium opacity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2026

Performance Evaluation of Intravehicular Activity Spacesuit Without the Use of a Liquid Cooling Garment

Human Thermal Modeling↗

DOE OSTI2025

Echo state network for coarsening dynamics of charge density waves

An echo state network (ESN) is a type of reservoir computer that uses a recurrent neural network with a sparsely connected hidden layer. Compared with other recurrent neural networks, one great advantage of ESN is the simplicity of its training process. Yet, despite the seemingly restricted learnable parameters, ESN has been shown to successfully capture the spatial-temporal dynamics of complex patterns. Here we build an ESN to model the coarsening dynamics of charge-density waves (CDWs) in a semiclassical Holstein model, which exhibits a checkerboard electron density modulation at half-filling stabilized by a commensurate lattice distortion. The inputs to the ESN are local CDW order parameters in a finite neighborhood centered around a given site, while the output is the predicted CDW order of the center site at the next time step. Special care is taken in the design of couplings between hidden layer and input nodes to ensure lattice symmetries are properly incorporated into the ESN model. Since the model predictions depend only on CDW configurations of a finite domain, the ESN is scalable and transferrable in the sense that a model trained on dataset from a small system can be directly applied to dynamical simulations on larger lattices. Furthermore, our work opens avenues for efficient dynamical modeling of pattern formations in functional electron materials.

2-dimensional systems↗

NASA NTRS2006

The 2004 NASA Aerospace Battery Workshop

Topics covered include: Super NiCd(TradeMark) Energy Storage for Gravity Probe-B Relativity Mission; Hubble Space Telescope 2004 Battery Update; The Development of Hermetically Sealed Aerospace Nickel-Metal Hydride Cell; Serial Charging Test on High Capacity Li-Ion Cells for the Orbiter Advanced Hydraulic Power System; Cell Equalization of Lithium-Ion Cells; The Long-Term Performance of Small-Cell Batteries Without Cell-Balancing Electronics; Identification and Treatment of Lithium Battery Cell Imbalance under Flight Conditions; Battery Control Boards for Li-Ion Batteries on Mars Exploration Rovers; Cell Over Voltage Protection and Balancing Circuit of the Lithium-Ion Battery; Lithium-Ion Battery Electronics for Aerospace Applications; Lithium-Ion Cell Charge Control Unit; Lithium Ion Battery Cell Bypass Circuit Test Results at the U.S. Naval Research Laboratory; High Capacity Battery Cell By-Pass Switches: High Current Pulse Testing of Lithium-Ion; Battery By-Pass Switches to Verify Their Ability to Withstand Short-Circuits; Incorporation of Physics-Based, Spatially-Resolved Battery Models into System Simulations; A Monte Carlo Model for Li-Ion Battery Life Projections; Thermal Behavior of Large Lithium-Ion Cells; Thermal Imaging of Aerospace Battery Cells; High Rate Designed 50 Ah Li-Ion Cell for LEO Applications; Evaluation of Corrosion Behavior in Aerospace Lithium-Ion Cells; Performance of AEA 80 Ah Battery Under GEO Profile; LEO Li-Ion Battery Testing; A Review of the Feasibility Investigation of Commercial Laminated Lithium-Ion Polymer Cells for Space Applications; Lithium-Ion Verification Test Program; Panasonic Small Cell Testing for AHPS; Lithium-Ion Small Cell Battery Shorting Study; Low-Earth-Orbit and Geosynchronous-Earth-Orbit Testing of 80 Ah Batteries under Real-Time Profiles; Update on Development of Lithium-Ion Cells for Space Applications at JAXA; Foreign Comparative Technology: Launch Vehicle Battery Cell Testing; 20V, 40 Ah Lithium Ion Polymer Battery for the Spacesuit; Low Temperature Life-Cycle Testing of a Lithium-Ion Battery for Low-Earth-Orbiting Spacecraft; and Evaluation of the Effects of DoD and Charge Rate on a LEO Optimized 50 Ah Li-Ion Aerospace Cell.

Source record↗

DOE OSTI2026

Activation dynamics of a water-soluble human mu-opioid receptor

The mu-opioid receptor (MOR), a class A G protein-coupled receptor mediates opioid analgesia and remains a central target for pain therapeutics. While crystal structures of MOR exist, they provide limited insight into the receptor’s dynamic conformational landscape underlying function. Here, we engineered a thermostable water-soluble MOR variant (wsMOR) that retains native-like ligand-binding and activation dynamics. This variant enables high-yield production and detailed solution-phase structural studies that are challenging with membrane-embedded MOR, providing a valuable tool for studying receptor activation and aqueous-phase drug screening. Using a combined computational and experimental approach, we performed long-timescale all-atom molecular dynamics simulations together with neutron scattering and single-molecule FRET, revealing a structurally stable receptor with a diverse ensemble of conformations at different temporal resolutions. In the ligand-free state, wsMOR displayed high conformational flexibility, which decreased upon agonist binding, particularly in transmembrane helix 6, a hallmark of G protein-coupled receptor activation. Positive allosteric modulation and G protein binding further stabilized active-like states. These findings highlight wsMOR’s conformational plasticity across picosecond to millisecond timescales and provide a foundation for structure-guided development of next-generation opioid ligands with improved efficacy and safety.

E, Agyemang [University of Tennessee Knoxville]↗

NASA NTRS1999

Dynamics and Structure of Weakly-Strained Flames In Normal- and Micro-Gravity

Strained laminar flames have been systematically studied, as the understanding of their structure and dynamic behavior is of relevance to turbulent combustion. Most of these studies have been conducted in opposed-jet, stagnation-type flow configurations. Flame studies in stagnation flows also allow for the determination of fundamental flame properties such as laminar flame speeds and extinction states that can be also conveniently modeled in detail. Studies at high strain rates are important in quantifying and understanding the response of vigorously-burning flames under conditions in which the transport time scales become comparable to the chemical time scales. Studies of weakly-strained flames can be of particular interest for all stoichiometries. For example, the laminar flame speeds for any equivalence ratio, phi, can be accurately determined by using the counterflow technique only if measurements are obtained at very low strain rates. Furthermore, near-limit flames can be only stabilized by weak strain rates. Previous studies have shown that weakly-burning flames are particularly sensitive to chain mechanisms, thermal radiation, and unsteadiness. The stabilization and study of weakly-strained flames is complicated by the presence of buoyancy that can render the flames unstable to the point of extinction. Such instabilities are caused either by the induced natural convection or the fact that higher density fluid can find itself on top of a lower density fluid. Thus, the use of microgravity (mu-g) becomes essential in order to provide meaningful insight into this important combustion regime. In view of the foregoing considerations, the main objectives of the program are to: (1) Experimentally determine the laminar flame speed at near-zero strain rates; (2) Experimentally determine the extinction limits of near-limit flames; (3) Experimentally determine the response of near-limit flames to unsteadiness and heat loss; (4) Introduce Digital Particle Image Velocimetry (DPIV) in microgravity; (5) Conduct detailed numerical simulations of the experiments; and (6) Provide physical insight into the underlying physico-chemical mechanisms.

Hai Zhang↗

DOE OSTI2024

Selective ion transport through hydrated micropores in polymer membranes

Abstract Ion-conducting polymer membranes are essential in many separation processes and electrochemical devices, including electrodialysis 1 , redox flow batteries 2 , fuel cells 3 and electrolysers 4,5 . Controlling ion transport and selectivity in these membranes largely hinges on the manipulation of pore size. Although membrane pore structures can be designed in the dry state 6 , they are redefined upon hydration owing to swelling in electrolyte solutions. Strategies to control pore hydration and a deeper understanding of pore structure evolution are vital for accurate pore size tuning. Here we report polymer membranes containing pendant groups of varying hydrophobicity, strategically positioned near charged groups to regulate their hydration capacity and pore swelling. Modulation of the hydrated micropore size (less than two nanometres) enables direct control over water and ion transport across broad length scales, as quantified by spectroscopic and computational methods. Ion selectivity improves in hydration-restrained pores created by more hydrophobic pendant groups. These highly interconnected ion transport channels, with tuned pore gate sizes, show higher ionic conductivity and orders-of-magnitude lower permeation rates of redox-active species compared with conventional membranes, enabling stable cycling of energy-dense aqueous organic redox flow batteries. This pore size tailoring approach provides a promising avenue to membranes with precisely controlled ionic and molecular transport functions.

Science & Technology - Other Topics↗

DOE OSTI2024

Machine learning the electric field response of condensed phase systems using perturbed neural network potentials

Abstract The interaction of condensed phase systems with external electric fields is of major importance in a myriad of processes in nature and technology, ranging from the field-directed motion of cells (galvanotaxis), to geochemistry and the formation of ice phases on planets, to field-directed chemical catalysis and energy storage and conversion systems including supercapacitors, batteries and solar cells. Molecular simulation in the presence of electric fields would give important atomistic insight into these processes but applications of the most accurate methods such as ab-initio molecular dynamics (AIMD) are limited in scope by their computational expense. Here we introduce Perturbed Neural Network Potential Molecular Dynamics (PNNP MD) to push back the accessible time and length scales of such simulations. We demonstrate that important dielectric properties of liquid water including the field-induced relaxation dynamics, the dielectric constant and the field-dependent IR spectrum can be machine learned up to surprisingly high field strengths of about 0.2 V Å −1 without loss in accuracy when compared to ab-initio molecular dynamics. This is remarkable because, in contrast to most previous approaches, the two neural networks on which PNNP MD is based are exclusively trained on molecular configurations sampled from zero-field MD simulations, demonstrating that the networks not only interpolate but also reliably extrapolate the field response. PNNP MD is based on rigorous theory yet it is simple, general, modular, and systematically improvable allowing us to obtain atomistic insight into the interaction of a wide range of condensed phase systems with external electric fields.

Science & Technology - Other Topics↗

NASA NTRSDate not supplied

Development of an Additively Manufactured Subscale Secondary Sealed Container for the NASA FROSTE Project

This presentation details the development of an additively manufactured (AM) subscale test article for the secondary sealed container (SSC) as part of the NASA FROSTE project. FROSTE is focused on the collection of regolith samples from shadowed regions of the Moon and the preservation of those samples at cryogenic temperatures for return to Earth. Our team was integrated into the FROSTE program to leverage innovative design approaches and additive manufacturing capabilities in support of a scalable development strategy, where the subscale configuration serves as the development path toward a full-scale SSC. Scalmalloy was selected as the primary material for all AM components due to its favorable strength-to-weight ratio, thermal conductivity, and demonstrated performance in aerospace applications. Its aluminum-based composition supports robust mechanical behavior at cryogenic temperatures while enabling efficient heat transfer and control of thermal gradients within the containment system. The SSC architecture consists of an outer container assembly that houses a phase change material (PCM) tank, which in turn contains primary containers holding the regolith. Thermal management relies on controlled conductive and radiative heat transfer, including a thermal connection assembly that interfaces the PCM tank to an external cryocooler via a thermal strap, and IMLI surrounding the PCM tank to inhibit radiative heat transfer. The outer container assembly incorporates sealing interfaces, thermal connection ports, and I/O feedthroughs, with PTFE spring seals used at critical interfaces to maintain containment integrity. The PCM tank is manufactured as a single monolithic Scalmalloy component and incorporates an integral lattice structure to minimize thermal gradients, internal channels for thermocouple routing, and interface features for thermal connection assembly integration. The tank is centrally suspended within the outer container using support rings, with G10 insulating components employed to inhibit thermal leaks. This work describes the design methodology, AM approach, and key considerations used to inform the design.

regolith↗

NASA NTRSDate not supplied

Evaluation of Long-Term Storage Stability and Operational Efficiency of Rapid Cycle Amine Adsorbents

With the recent incorporation of Mars Extravehicular Activity (EVA) into the 2025 NASA roadmap, Rapid Cycle Amine (RCA) technology advancement within the Exploration Extravehicular Mobility Unit (xEMU) applies to both the upcoming Lunar Artemis missions and future human exploration of Mars. The incorporation of commercial spacesuit vendors to service NASA’s crewed-space programs since 2021 has increased the demand for regenerable, RCA-based carbon dioxide (CO2) and humidity control adsorbents. The regenerable RCA subunit is the most advanced, long-term solution for CO2 removal and humidity control, enabling both lunar and Martian EVAs. The adsorbent selected for use within the RCA unit must exhibit sufficient storage stability and operational efficiency for prolonged missions. As XploSafe worked to simultaneously develop both a recirculating sub-atmospheric test rig and adsorbents for the RCA system within the xEMU, several novel adsorbents were evaluated for long-term storage stability in support of future extended-duration missions. The chosen materials were periodically evaluated by nuclear magnetic resonance (NMR) spectroscopy, thermal desorption-coupled with gas chromatography/mass spectrometry (TD-GC/MS), and CO2 adsorption to assess long-term storage efficacy across various environmental storage conditions. NMR spectroscopy was utilized by extracting the active CO2 adsorbing chemical from the solid support with deuterated solvent and comparing the spectra over time for degradation and change. The solid adsorbents were also analyzed via TD-GC/MS to reveal any potential off-gassing chemicals over time. Additionally, XploSafe’s breakthrough test rig was utilized to dose the solid adsorbents with a 585 BTU/h metabolic rate flow-equivalent CO2 stream and monitored for 0–99% CO2 breakthrough. The performance metrics from the breakthrough analysis were compared over the storage study duration for CO2 removal and humidity control. Xplo-SA9T was evaluated for 24 months, whereas two additional adsorbent variants, MMPA-Sorbent and LPEI-Sorbent, were each evaluated for 12 months.

John R Tidwell↗

NASA NTRS2026

Towards an improved understanding of the Antarctic coastal zone and its contribution to future global sea level

Understanding the coastal zone of the Antarctic Ice Sheet, where it interacts with the Southern Ocean and warmer air masses, is crucial for predicting Antarctica's influence on the global climate. This region has multiple tipping mechanisms that could trigger large, rapid, and potentially irreversible changes in the coming centuries. The Antarctic Ice Sheet remains the largest source of uncertainty in future sea-level projections. Insufficient knowledge of bed topography beneath the ice shelves and the coastal ice sheet is not yet well documented, but is a major source of this uncertainty. This review assesses current knowledge of the coastal zone and highlights methods to investigate it, including aerogeophysical surveys, ground- and ship-based measurements, satellite observations, and computer modeling. An ensemble analysis of published bed topography datasets identifies significant data gaps and their regional distribution, framed in the context of current ice-sheet behavior and potential instability. We propose scientific priorities and guidelines for future aerogeophysical surveys, advocating for a comprehensive, coordinated international effort to build a next-generation dataset of Antarctic bed properties. Such an initiative would significantly advance understanding of the role of coastal processes in ice-sheet dynamics, reducing uncertainties in sea-level rise projections and enhancing predictions of future ocean and climate changes.

Kenichi Matsuoka↗

DOE OSTI2023

Atomistic‐Level Effects of Noncovalent Interactions and Crystalline Packing for Organic Material Structural Integrity upon Exposure to Gamma Radiation

Developing an atomistic understanding of ionizing radiation induced changes to organic materials is necessary for intentional design of greener and more sustainable materials for radiation shielding and detection. Cocrystals are promising for these purposes, but a detailed understanding of how the specific intermolecular interactions within the lattice upon exposure to radiation affect the structural stability of the organic crystalline material is unknown. This study evaluates atomistic-level effects of γ radiation on both single- and multicomponent organic crystalline materials and how specific noncovalent interactions and packing within the crystalline lattice enhance structural stability. Dose studies were performed on all crystalline systems and evaluated via experimental and computational methods. Changes in crystallinity were evaluated by p-XRD and free radical formation was analyzed via EPR spectroscopy. Type of intermolecular interactions and packing within the crystal lattice was delineated and related to the specific free radical species formed and the structural integrity of each material. Periodic DFT and HOMO-LUMO surface mapping calculations provided atomistic-level identifications of the most probable sites for the radicals formed upon exposure to γ radiation and relate intermolecular interactions and molecular packing within the crystalline lattice to experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE↗

DOE OSTI2026

Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials

Charge transport in polymers, such as polyacrylonitrile (PAN), is crucial for electronics and energy storage. For instance, PAN can transport cations e.g., Li + , by facilitating dynamic cation-nitrile coordination in batteries. However, little is known regarding the underlying role of complex reactive polymer configurations. Herein, we develop a deep-learning potential, trained on ab initio energies and forces of nonequilibrium reactive PAN configurations, to unravel the kinetics of PAN cyclization initiated by a nucleophile (OH – dissociated from LiOH) attacking the terminal nitrile carbon. We find, based on the reaction free-energetics, rates, and charge analysis, that the nucleophile attack producing the first ring is the rate-limiting step, which subsequently triggers Li + -coupled electron transfer along the PAN backbone, causing ∼10 4 times faster sequential ring-formation of the remaining nitriles. PAN’s extended configurations, where dipolar and H-bonding interactions are minimal, enable such rapid kinetics. By validating our computational findings with IR and NMR experiments, we establish a pathway for designing reactive polymers with enhanced charge transport for energy applications.

Chahal-Crockett, Rajni [Oak Ridge National Laborat↗

DOE OSTI1996

Nuclear Safety [Vol. 37, No. 1, January-March 1996]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 A Decision Support System for Maintenance Management of a Boiling-Water Reactor Power Plant, J. H. Shen, A. Ray, and S. Levine; ACCIDENT ANALYSIS: 12 On Prediction of the Ignition Potential of Uranium Metal and Hydride, M. Epstein, W. Luangdilok, M. G. Plys, and H. K. Fauske; 26 An Overview of the Primary Parameters and Methods for Determining Condensation Heat Transfer to Containment Structures, J. Green and K. Almenas; DESIGN FEATURES: 49 Modem Tornado Design of Nuclear and Other Potentially Hazardous Facilities, J. D. Stevenson and Y. Zaho; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 73 1994 Accident Sequence Precursor Program Results, R. J. Belles, J. W. Cletcher, D. A. Copinger, B. W. Dolan, J. W. Minarick, and P. D. O'Reilly; ANNOUNCEMENTS: 93 American Institute of Chemical Engineers (AlChE) Spring 1997 National Meeting; 94 European Safety and Reliability Association International Conference on Safety and Reliability ESREL ’97; 95 Criticality Safety Challenges in the Next Decade; 96 21st International Symposium on the Scientific Basis for Nuclear Waste Management; 84 The Authors; 88 Letter to the Editor; 90 Indexes to Nuclear Safety, Volume 36.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Surface science insight note: A linear algebraic approach to elucidate native films on Fe 3 O 4 surface

Standard materials are often used to obtain spectra that can be compared to those from unknown samples. Spectra measured from these known substances are also used as a means of computing sensitivity factors to allow quantification by X-ray photoelectron spectroscopy (XPS) of less well-defined materials. Spectra from known materials also provide line shapes suitable for inclusion in spectral models which, when fitted to spectra, permit the chemical state for a sample to be assessed. Both types of information depend on isolating photoemission signals from the inelastically scattered signal. In this Insight note, technical issues associated with the use of XPS of as received Fe 3 O 4 powder sample surface are discussed. The Insight note is designed to show how linear algebraic techniques applied to data collected from a sample marketed as pure Fe 3 O 4 powder are used to verify that XPS has been performed on chemistry representative of the sample. The methods described in this Insight note can further be utilized in elucidating complex XPS data obtained from thin films formed or evolved during cyclic/non-steady use of complex (electro)catalyst surfaces, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗