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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electrified autonomous freight benefit analysis on fleet, infrastructure and grid leveraging Grid-Electrified Mobility (GEM) model

Fast-growing freight activities over the decades have become one of the major contributors to air pollution, leading to many efforts in freight decarbonization and electrification. However, the development of freight electrification is slow due to technological uncertainty, slow charging, high capital cost, etc. This paper analyzes the potential impact and benefit of heavy-duty vehicle (HDV) electrification and automation on fleet cost, infrastructure cost, the electricity grid, and environmental outcomes. In this work, we extended the vehicle electrification benefit analysis tool: Grid-Electrified Mobility (GEM) model, which had primarily been used to study light-duty passenger vehicles (LDVs), to analyze heavy-duty vehicle electrification. The extended model is derived for freight transportation electrification, and different freight electrification and automation adoption scenarios were analyzed. We find that the increased penetration of automated electric freight fleets within other types of electrified freight fleets from 1% to 99% will result in an overall cost reduction of 18.2%, fleet size reduction of 20.4%, and lower peak load reduction of 14.3%.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Configuration and impurity quantification of AmLi sources using radiography and gamma spectroscopy

This paper presents the non-destructive assay of two AmLi sources used for detector characterization and active interrogation at PNNL, identified as MRC-101 and MRC-103. First, a detailed description of the internal configuration of 2724-BT encapsulated MRC sources is established. X-ray radiographs of the AmLi sources are reported for the first time to verify the dimensions and orientation of the encapsulation. Notably, a density variation was observed as a contrast change across the height of the source cavities. Contrary to commonly made assumptions in literature, it is indirectly observed that the AmLi source/target material only occupies a portion of the source cavity. The intensity of the prompt gamma-rays resulting from the inelastic scatter of alpha particles on 7Li was used to calculate the mass ratios of LiH:AmO2. The gamma-ray spectra revealed the presence of numerous impurities in both source and target material (243Am, 237Np, 154Eu, 23Na, and 9Be). Neutron-gamma production ratios were applied to the intensity of the Doppler-broadened peaks from alpha-induced reactions with 7Li, 9Be, and 23Na to calculate neutron rates for both sources. A neutron/alpha production yield (derived in this work) was then related to the atomic concentration of these isotopes to find the approximate masses within each source. Ultimately, the AmLi source density was estimated with prompt gamma analysis based on partial source volumes as 0.45±0.08 g/cm^3.

DTRA, AmLi, neutron↗
DOE OSTI2024

Exciton Enhanced Nonlinear Optical Responses in Monolayer h-BN and MoS 2 : Insight from First-Principles Exciton-State Coupling Formalism and Calculations

Excitons are vital in the photophysics of materials, especially in low-dimensional systems. The conceptual and quantitative understanding of excitonic effects in nonlinear optical (NLO) processes is more challenging compared to linear ones. Here, we present an ab initio approach to second-order NLO responses, incorporating excitonic effects, that employs an exciton-state coupling formalism and allows for a detailed analysis of the role of individual excitonic states. Taking monolayer h-BN and MoS 2 as two prototype 2D materials, we calculate their second harmonic generation (SHG) susceptibility and shift current conductivity tensor. We find strong excitonic enhancement in the NLO responses requires that the resonant excitons are not only optically bright themselves but also able to couple strongly to other bright excitons. Our results explain the occurrence of two strong peaks in the SHG of monolayer h-BN and why the A and B excitons of MoS 2 unexpectedly exhibit minimal excitonic enhancement in both SHG and shift current generation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reduced methane recovery at high pressure due to methane trapping in shale nanopores

By 2050, shale gas production is expected to exceed three-quarters of total US natural gas production. However, current unconventional hydrocarbon gas recovery rates are only around 20%. Maximizing production of this natural resource thus necessitates improved understanding of the fundamental mechanisms underlying hydrocarbon retention within the nanoporous shale matrix. In this study, we integrated molecular simulation with high-pressure small-angle neutron scattering (SANS), an experimental technique uniquely capable of characterizing methane behavior in situ within shale nanopores at elevated pressures. Samples were created using Marcellus shale, a gas-generative formation comprising the largest natural gas field in the United States. Our results demonstrate that, contrary to the conventional wisdom that elevated drawdown pressure increases methane recovery, a higher peak pressure led to the trapping of dense, liquid-like methane in sub-2 nm radius nanopores, which comprise more than 90% of the measured nanopore volume, due to irreversible deformation of the kerogen matrix. These findings have critical implications for pressure management strategies to maximize hydrocarbon recovery, as well as broad implications for fluid behavior under confinement.

58 GEOSCIENCES↗
DOE OSTI2022

Observation of breakdown wave mechanism in avalanche ionization produced atmospheric plasma generated by a picosecond CO 2 laser

Understanding the formation and long-timescale evolution of atmospheric plasmas produced by ultrashort, long-wavelength infrared (LWIR) pulses is an important but partially understood problem. Of particular interest are plasmas produced in air with a peak laser intensity ~10 12 W/cm 2 , the so-called clamping intensity observed in LWIR atmospheric guiding experiments where tunneling and multi-photon ionization operative at near-IR or shorter wavelengths are inoperative. We find that avalanche breakdown on the surface of aerosol (dust) particles can act to seed the breakdown of air observed above the 200 GW/cm 2 threshold when a train of 3 ps 10.6 μm laser pulses separated by 18 ps is used. The breakdown first appears at the best focus but propagates backward toward the focusing optic as the plasma density approaches critical density and makes forward propagation impossible. The velocity of the backward propagating breakdown can be as high as 10 9 cm/s, an order of magnitude greater than measured with ns pulse-produced breakdown, and can be explained rather well by the so-called breakdown wave mechanism. Transverse plasma expansion with a similar velocity is assisted by UV photoionization and is observed as a secondary longitudinal breakdown mechanism in roughly 10% of the shots. When a cm-size, TW power beam is propagated, interception of aerosol particles is guaranteed and several (40 cm -3 ) breakdown sites appear, each initially producing a near-critical density plasma. On a 10 ns–1 μs timescale, shockwaves from each site expand radially and coalesce to produce a large hot gas channel. The radial velocity of the expansion agrees well with the prediction of the blast wave theory developed for ultrafast atmospheric detonations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Staged Z-pinch radiation-hydrodynamic simulations on a 20-MA driver

We report on one-dimensional simulations of a staged Z-pinch (SZP) fusion scheme using the radiation-hydrodynamics code HYDRA [Marinak et al., Phys. Plasmas 8, 2275 (2001)]. A pulsed-power driver, based on the Z-machine at Sandia National Laboratories, with a peak current around 20 MA, is used to implode a high-Z gas liner surrounding a cylindrical DT fuel target. For the best conditions used in this work, excluding some physical processes, such as mix, we find a “clean” fusion yield of 7.05 MJ (2.5 ×1018 neutrons), thus showing the potential for high yields using this scheme. The design achieving this yield was determined through a study of different liner materials, liner masses, and fuel masses. We also address previous simulations of the SZP setup that used ad hoc limits of the total internal energy of the liner that can artificially increase fusion yields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Did we hear the sound of the Universe boiling? Analysis using the full fluid velocity profiles and NANOGrav 15-year data

Abstract In this paper, we analyse sound waves arising from a cosmic phase transition where the full velocity profile is taken into account as an explanation for the gravitational wave spectrum observed by multiple pulsar timing array groups. Unlike the broken power law used in the literature, in this scenario the power law after the peak depends on the macroscopic properties of the phase transition, allowing for a better fit with pulsar timing array (PTA) data. We compare the best fit with that obtained using the usual broken power law and, unsurprisingly, find a better fit with the gravitational wave (GW) spectrum that utilizes the full velocity profile. Even more importantly, the thermal parameters that produce the best fit are quite different. We then discuss models that can produce the best-fit point and complementary probes using CMB experiments and searches for light particles in DUNE, IceCUBE-Gen2, neutrinoless doubleβ-decay, and forward physics facilities (FPF) at the LHC like FASERν, etc.

Astronomy & Astrophysics↗
DOE OSTI2020

SDSS-IV MaNGA: The link between bars and the early cessation of star formation in spiral galaxies

ABSTRACT Bars are common in low-redshift disc galaxies, and hence quantifying their influence on their host is of importance to the field of galaxy evolution. We determine the stellar populations and star formation histories of 245 barred galaxies from the Mapping Nearby Galaxies at APO (MaNGA) galaxy survey, and compare them to a mass- and morphology-matched comparison sample of unbarred galaxies. At fixed stellar mass and morphology, barred galaxies are optically redder than their unbarred counterparts. From stellar population analysis using the full spectral fitting code starlight, we attribute this difference to both older and more metal-rich stellar populations. Dust attenuation however, is lower in the barred sample. The star formation histories of barred galaxies peak earlier than their non-barred counterparts, and the galaxies build up their mass at earlier times. We can detect no significant differences in the local environment of barred and unbarred galaxies in this sample, but find that the H i gas mass fraction is significantly lower in high-mass ($\rm {M}_{\star } \gt 10^{10}~\rm {M}_{\odot }$) barred galaxies than their non-barred counterparts. We speculate on the mechanisms that have allowed barred galaxies to be older, more metal-rich and more gas-poor today, including the efficient redistribution of galactic fountain byproducts, and a runaway bar formation scenario in gas-poor discs. While it is not possible to fully determine the effect of the bar on galaxy quenching, we conclude that the presence of a bar and the early cessation of star formation within a galaxy are intimately linked.

Fraser-McKelvie, Amelia↗
DOE OSTI2024

First-order structural phase transition at low temperature in GaPt 5 P and its rapid enhancement with pressure

Single crystals of X Pt 5 ⁢P (X = Al, Ga, and In), belonging to the 1-5-1 family of compounds, were grown from a Pt-P solution at high temperatures, and measurements of the ambient pressure, temperature-dependent magnetization, resistivity, and x-ray diffraction were made. Additionally, the ambient-pressure Hall resistivity and temperature-dependent resistance under pressure were measured on GaPt 5 ⁢P. All three compounds have a tetragonal P4/mmm crystal structure at room temperature with metallic transport and weak diamagnetism over the 2–300 K temperature range. Surprisingly, at ambient pressure, both the transport and magnetization measurements on GaPt 5 ⁢P show a steplike feature in the 70–90 K region, suggesting a possible structural phase transition. Neither AlPt 5 ⁢P nor InPt 5 ⁢P have any signatures of a phase transition in their temperature-dependent electrical resistance and magnetization data. Both the hysteretic nature and sharpness of the features in the GaPt 5 ⁢P data suggest that the transition is first-order. Further, single-crystal x-ray diffraction measurements provided further details of the structural transition with a possibility of a crystal symmetry different from P⁢4/mmm below the transition temperature. The transition is characterized by anisotropic changes in the lattice parameters and a volume collapse with respect to the high-temperature tetragonal crystal structure. Furthermore, satellite peaks are observed at two distinct and nonequivalent wave vectors (0, 0, 0.5) and (0.5, 0.5, 0.5), and density functional theory calculations present phonon softening, especially at (0.5, 0.5, 0.5), as a possible driving mechanism. Additionally, we find that the structural transition temperature increases rapidly with increasing pressure, reaching room temperature by ~2.2 GPa, highlighting the high degree of pressure sensitivity of GaPt 5 ⁢P and fragile nature of its room-temperature structure. Even though the volume collapse and extreme pressure sensitivity suggest chemical pressure should drive a similar structural change in AlPt 5⁢ P, where both unit-cell dimensions and volume are smaller, its structure is found to be the same as that of the room-temperature GaPt 5 ⁢P. Overall, GaPt 5 ⁢P stands out as a sole member of the 1-5-1 family of compounds for which a temperature-driven structural change has been observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Operator dynamics in Floquet many-body systems

We study operator dynamics in many-body quantum systems, focusing on generic features of systems that are ergodic, spatially extended, and lack conserved densities. Quantum circuits of various types provide simple models for such systems. We focus on Floquet quantum circuits, comparing their behavior with what has been found previously for circuits that are random in time. Floquet circuits, which have discrete time-translation symmetry, represent an intermediate case between circuits that are random in time and lack any symmetry, and systems with a time-independent Hamiltonian and continuous time-translation invariance. By making this comparison, one of our aims is to identify signatures of time-translation symmetry in Floquet operator dynamics. To characterize behavior we examine a variety of quantities in solvable models and numerically: operator autocorrelation functions; the partial spectral form factor; the out-of-time-order correlator (OTOC); and the paths in operator space that make the dominant contributions to the ensemble-averaged autocorrelation functions. Our most striking result is that ensemble-averaged autocorrelation functions show behavior that is distinctively different in Floquet systems compared to systems in which successive time-steps are independent. Specifically, while average autocorrelation functions decay on a microscopic timescale for circuits that are random in time, in Floquet systems they have a late-time tail with a duration that grows parametrically with the size of the operator support. In the simplest models this tail is separated from the initial decay by a minimum, so that the average autocorrelation function has an intermediate-time peak. The existence of these tails provides a way to understand deviations of the spectral form factor from random matrix behavior at times shorter than the Thouless time. In contrast to this feature in autocorrelation functions, we find no new aspects to the behavior of OTOCs for Floquet models compared to random-in-time circuits. We show that this difference between averaged autocorrelation functions and OTOCs can be understood in terms of the paths in operator space that contribute to the two quantities: paths for the former retain a limited support at late times, while paths for the latter are dominated by operator spreading. Published by the American Physical Society 2025

Yoshimura, Takato (ORCID:0000000309159846)↗
DOE OSTI2021

Measuring an Off-center Detonation through Infrared Line Profiles: The Peculiar Type Ia Supernova SN 2020qxp/ASASSN-20jq

In this study, we present and analyze a near-infrared (NIR) spectrum of the underluminous Type Ia supernova SN 2020qxp/ASASSN-20jq obtained with NIRES at the Keck Observatory, 191 days after B-band maximum. The spectrum is dominated by a number of broad emission features, including the [Fe ιι] at 1.644 μm, which is highly asymmetric with a tilted top and a peak redshifted by ≈2000 km s -1 . In comparison with 2D non-LTE synthetic spectra computed from 3D simulations of off-center delayed-detonation Chandrasekhar-mass (M ch ) white dwarf (WD) models, we find good agreement between the observed lines and the synthetic profiles, and are able to unravel the structure of the progenitor’s envelope. We find that the size and tilt of the [Fe ιι] 1.644 μm profile (in velocity space) is an effective way to determine the location of an off-center delayed-detonation transition (DDT) and the viewing angle, and it requires a WD with a high central density of ~4 × 10 9 g cm -3 . We also tentatively identify a stable Ni feature around 1.9 μm characterized by a “pot-belly” profile that is slightly offset with respect to the kinematic center. In the case of SN 2020qxp/ASASSN-20jq, we estimate that the location of the DDT is ~0.3M WD off center, which gives rise to an asymmetric distribution of the underlying ejecta. We also demonstrate that low-luminosity and high-density WD SN Ia progenitors exhibit a very strong overlap of Ca and 56 Ni in physical space. This results in the formation of a prevalent [Ca ιι] 0.73 μm emission feature that is sensitive to asymmetry effects. Our findings are discussed within the context of alternative scenarios, including off-center C/O detonations in He-triggered sub-M Ch WDs and the direct collision of two WDs. Snapshot programs with Gemini/Keck/Very Large Telescope (VLT)/ELT-class instruments and our spectropolarimetry program are complementary to mid-IR spectra by the James Webb Space Telescope (JWST).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

EVs@Scale Next-Gen Profiles - Fleet Utilization 2024

As part of the U.S. Department of Energy’s EVs@Scale initiative, the Next-Gen Profiles (NGP) project provides a comprehensive, data-driven analysis of electric vehicle (EV) and electric vehicle supply equipment (EVSE) operations across real-world fleet deployments. This paper presents findings from the NGP’s Fleet Utilization study, which investigates operational behavior and asset usage across seventeen EV fleets and two EVSE fleets, encompassing a wide range of vehicle types and use cases. Data collected from diverse sources—varying in format and temporal resolution—are first reformatted into a unified structure. From this harmonized dataset, a suite of rigorously defined performance metrics is calculated at an hourly cadence, enabling consistent cross-comparison of charging, routing, and other key operational behaviors. Amid rapidly increasing EV adoption and growing demands for energy-efficient fleet operations, the analysis reveals clear utilization trends—including diurnal and weekly activity cycles, differences in short versus long charging session dependencies, and route-specific energy usage patterns. These findings highlight the need for tailored infrastructure strategies and the deployment of advanced energy management systems, such as Distributed Energy Resource Management Systems (DERMS) and Site Energy Management Systems (SEMS), which can optimize charging schedules and mitigate peak loads. By leveraging anonymized, harmonized datasets and standardized metrics, this study offers critical insights into fleet behavior and performance, providing a foundation to improve operational efficiency, reduce costs, and enable the scalable deployment of electrified transportation.

Wells, Landon↗
DOE OSTI2020

The coupled SYK model at finite temperature

Sachdev-Ye-Kitaev (SYK) model, which describes N randomly interacting Majorana fermions in 0+1 dimension, is found to be an solvable UV-complete toy model for holographic duality in nearly AdS 2 dilaton gravity. Ref. [1] proposed a modified model by coupling two identical SYK models, which at low-energy limit is dual to a global AdS 2 geometry. This geometry is an “eternal wormhole" because the two boundaries are causally connected. Increasing the temperature drives a Hawking-Page like transition from the eternal wormhole geometry to two disconnected black holes with coupled matter field. To gain more understanding of the coupled SYK model, in this work, we study the finite temperature spectral function of this system by numerical solving the Schwinger-Dyson equation in real-time. We find in the low-temperature phase the system is well described by weakly interacting fermions with renormalized single-particle gap, while in the high temperature phase the system is strongly interacting and the single-particle peaks merge. We also study the q dependence of the spectral function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Structure of Complex Liquid–Liquid Extraction Organic Phases for Rare Earth Separations

Complex, multicomponent liquids with hierarchical structure and phase transitions are encountered in many natural and industrial processes, including in chemical separations. One notable example is aggregation and organic phase splitting in liquid–liquid extraction (LLE) of metal ions. While these two phenomena that have long been closely associated, a mechanistic link between mesoscale structure and the capacity-limiting organic phase splitting remains elusive due to complexity of these systems. Here, in this study, we combine small-angle X-ray scattering (SAXS), X-ray photon correlation spectroscopy (XPCS), and molecular dynamics simulation to reveal a comprehensive picture of structure at the nano- and mesoscale in these complex solutions. For the representative case of rare earth extraction from an acidic aqueous phase by a malonamide extractant in dodecane, we investigate a wide range of process-relevant extractant and acid concentrations to provide a complete picture of how aggregation depends on composition. We decompose organic phase structure from SAXS into two contributions, which together can capture the scattering at all compositions: composition fluctuations described by the Ornstein–Zernike equation at low wavenumber Q, and nanostructure modeled by a “pre-peak” at intermediate Q. The former contains information about the thermodynamics of demixing, while the latter reflects nanoscopic self-assembly of the extractant and extracted solutes. While fluctuations have typically not been considered in the literature, we find they in fact dominate the total structure for nearly all practical conditions. As only the fluctuations have a strong temperature response, we confirm this attribution with temperature-dependent SAXS measurements, including for extracted europium nitrate complexes. SAXS and XPCS measurements near the critical point find static and dynamic scaling consistent with theory. Overall, this new paradigm for understanding LLE organic phases connects composition, nanoscale, and mesoscale structuring to phase behavior, providing both a comprehensive picture of solution structure and a quantitative link between aggregation and third phase formation.

Peroutka, Allison A. [Argonne National Laboratory ↗
DOE OSTI2023

Modeling Wavelength Dependent Mid-infrared (5.5–25 μm) Optical Constants of Silicate Glasses: A Genetic Algorithm Approach

Wavelength-dependent mid-infrared (400–1,800 cm -1 ; 5.56–25 μm) optical constants (real and imaginary indices of refraction; n and k) are determined using reflectance spectra at a spectral sampling of 4 cm -1 for several silicate glasses of varying SiO 2 wt% which include (a) basaltic volcanic glass from Kilauea, Hawaii, (b) synthetic andesite, (c) two synthetic dacites, (d) obsidian volcanic glass from Mount Lassen, California, (e) synthetic rhyodacite, and (f) rhyolitic volcanic glass from Mexico. Because glasses are optically isotropic, no specific orientation was required for spectral measurements, and polished glass samples were measured at random orientations using micro-FTIR spectrometer. Lorentz-Lorenz dispersion theory and Fresnel reflectance model for high symmetry materials were used to model the optical constants by optimizing oscillator parameters in modeled spectra to match laboratory spectra. A genetic algorithm (GA) approach automatically finds the natural oscillators and their parameters for each spectrum, and then uses these parameters in a non-linear least squares optimization routine. The study compared spectral parameters such as Christiansen feature, reststrahlen bands (RBs), and the peaks centered around 860–1,100 (peak 1) and 400–480 cm -1 (peak 2) of n and k to their respective SiO 2 wt% of the glasses. CF, RBs, peak 1 of n and k, and peak 2 of n shift to higher wavenumbers with increased SiO 2 wt%, whereas peak 2 of k shifts to lower wavenumbers with increased SiO 2 wt%. Derived optical constants of these glasses will improve quantitative abundance mapping of volcanic materials on the surfaces of silicate targets in the Solar System.

58 GEOSCIENCES↗
DOE OSTI2021

Accelerated annealing of colloidal crystal monolayers by means of cyclically applied electric fields

Abstract External fields are commonly applied to accelerate colloidal crystallization; however, accelerated self-assembly kinetics can negatively impact the quality of crystal structures. We show that cyclically applied electric fields can produce high quality colloidal crystals by annealing local disorder. We find that the optimal off-duration for maximum annealing is approximately one-half of the characteristic melting half lifetime of the crystalline phase. Local six-fold bond orientational order grows more rapidly than global scattering peaks, indicating that local restructuring leads global annealing. Molecular dynamics simulations of cyclically activated systems show that the ratio of optimal off-duration for maximum annealing and crystal melting time is insensitive to particle interaction details. This research provides a quantitative relationship describing how the cyclic application of fields produces high quality colloidal crystals by cycling at the fundamental time scale for local defect rearrangements; such understanding of dynamics and kinetics can be applied for reconfigurable colloidal assembly.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Work from Home Patterns across COVID-19 Waves: Implications for Future Transportation

The unprecedented rise in work from home (WFH) during COVID-19 poses challenges for the transportation engineers and planners with the travel demand forecasting. If WFH persists post-pandemic, it could influence traffic patterns, reducing peak-hour congestion. However, the evolution of WFH decisions across pandemic phases and varying socio-economic contexts remains unclear. This study examines factors influencing WFH choices using data from the US Census Bureau’s Household Pulse Survey. Findings reveal a decline in WFH participation from 60% during the first wave to 38% by the third wave of the COVID-19 pandemic. A Geographically Weighted Regression model highlights the influence of socio-economic, household, and COVID-19-related variables, with notable spatial variability. Results show that younger individuals, females, and households with children are consistently more likely to WFH, while non-white and higher income individuals have an increasing likelihood for WFH as the pandemic progresses. These insights inform future transportation planning, emphasizing equity and decentralization strategies for post-pandemic commuting.

Patwary, Latif [ORNL] (ORCID:0000000189174928)↗
DOE OSTI2020

Covalency in Fe 2 O 3 and FeO: Consequences for XPS satellite intensity

The covalent character of the interaction between the metal cation and the oxygen ligands has been examined for two Fe oxides with different nominal oxidation states, Fe(II)O, and Fe(III) 2 O 3 . The covalent character is examined for the initial, ground state configuration and for the ionic states involving the removal of a shallow core, Fe 3p, and a deep core, Fe 2p, electron. The covalency is assessed based on novel theoretical analyses of wave functions for the various cases. It is found that the covalency is considerably different for different oxidation states and for different ionized and non-ionized configurations. The changes in covalency for the ions are shown to be responsible for important changes in relaxation energies for X-Ray Photoelectron Spectroscopy (XPS) spectra and in the intensity lost from main XPS peaks to shake satellites. While these consequences are not observables themselves, they are important for the interpretation of the XPS spectra, in particular, for efforts to extract stoichiometries of these iron oxides from XPS data. This is a finding likely applicable across various 3d transition metal oxide materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗