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

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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Self-terminating electrodeposition of Pt on WC electrocatalysts

Self-terminated electrochemical deposition is used to grow Pt nanoparticles on tungsten monocarbide (WC) from a pH 4 electrolyte of 3 mmol/L K 2 PtCl 4 -0.5 mol/L NaCl. An unconventional potentiodynamic deposition program is used where nucleation is promoted at large over potentials followed by growth termination at still larger over potentials to yield a high coverage of Pt nanoparticles. Following three deposition cycles between –0.8 V SCE and –0.45 V SCE , the surface is covered by a monolayer equivalent charge of Pt in the form of ≈3×10 11 particles/cm2 that are ≈6.7 ± 1.1 nm in diameter. The number and size of nanoparticles increase monotonically for five deposition cycles. Area-normalized kinetics for hydrogen evolution (HER) and oxidation (HOR) on Pt-WC were determined in 0.5 mol/L H 2 SO 4 . For the lowest surface coverage of Pt nanoparticles on WC, ≈ 0.01, an exchange current density of ≈ 100 mA/cm 2 is achieved, comparable to the highest reported values for Pt nanoparticles and ultra microelectrodes. The area normalized apparent exchange current density decreases with increasing Pt coverage as the relative contribution of point versus planar diffusion decreases. Self-terminated electrodeposition of Pt provides an attractive approach to achieving ultra-low loadings of well-dispersed Pt nanoparticles on a non-precious metal support like WC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Unravelling fast-charging degradation in NMC/Gr pouch cells: Lithium plating and SEI properties

As fast-charging technology expands across the electric vehicle and emerging energy-storage applications, understanding its impact on battery performance and longevity is critical. In this study, 1.8 Ah LiNi 0.6 Mn 0.2 Co 0.2 O 2 /graphite pouch cells were charged at various charging rates (0.5C, 2C, 4C, and 6C) to investigate the degradation mechanisms. Our results showed that well-designed NMC/Gr pouch cells could reach over 1000 cycles with a 2C charging rate, while only reaching around 500 cycles with 4C and 6C charging rates. Fast-charging effects on NMC and graphite electrodes were obtained through a series of post-mortem characterizations, including electrochemical impedance spectroscopy (EIS), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS). Although higher charging rates cause pulverization of NMC secondary particles, the dominant degradation mechanism driving the fading of fast-charging-related performance lies in the graphite anode, where lithium plating and LiF-rich solid electrolyte interphase (SEI) formation result in Li inventory loss and impedance growth. The postmortem results suggest that the formation of a LiF-rich SEI, which exacerbates anode impedance and some irreversible Li + ion loss, is likely driven by the substantial decomposition of PF 6 − during fast charging, an effect often overlooked in smaller laboratory-scale studies.

Luo, Mei [Argonne National Laboratory (ANL), Argon↗
DOE OSTI2022

CAPOS: The bulge Cluster APOgee Survey: III. Spectroscopic tomography of Tonantzintla 2

Here, we performed the first detailed spectral analysis of red giant members of the relatively high-metallicity globular cluster (GC) Tononzintla 2 (Ton 2) using high-resolution near-infrared spectra collected with the Apache Point Observatory Galactic Evolution Experiment II survey (APOGEE-2), obtained as part of the bulge Cluster APOgee Survey. We investigated chemical abundances for a variety of species including the light, odd-Z, α-, Fe-peak, and neutron-capture elements from high S/N spectra of seven giant members. The derived mean cluster metallicity is [Fe/H] = –0.70 ± 0.05, with no evidence for an intrinsic metallicity spread. Ton 2 exhibits a typical α-enrichment that follows the trend for high-metallicity Galactic GCs, similar to that seen in 47 Tucanae and NGC 6380. We find a significant nitrogen spread (> 0.87 dex), and a large fraction of nitrogen-enriched stars that populate the cluster. Given the relatively high-metallicity of Ton 2, these nitrogen-enriched stars are well above the typical Galactic levels, indicating the prevalence of the multiple-population phenomenon in this cluster that also contains several stars with typical low first-generation N abundances. We also identify the presence of [Ce/Fe] abundance spread in Ton 2, which is correlated with the nitrogen enhancement, indicating that the s-process enrichment in this cluster has likely been produced by relatively low-mass asymptotic giant branch stars. Furthermore, we find a mean radial velocity of the cluster, –178.6 ± 0.86 km s –1 , with a small velocity dispersion, 2.99 ± 0.61 km s –1 , which is typical of GCs. We also find a prograde bulge-like orbit for Ton 2 that appears to be radial and highly eccentric. Finally, the considerably nitrogen-enhanced population observed in Ton 2, combined with its dynamical properties, makes this object a potential progenitor for the nitrogen-enriched field stars identified so far toward the bulge region at similar metallicity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

What drives the variance of galaxy spectra?

We present a study aimed at understanding the physical phenomena underlying the formation and evolution of galaxies following a data-driven analysis of spectroscopic data based on the variance in a carefully selected sample. We apply principal component analysis (PCA) independently to three subsets of continuum-subtracted optical spectra, segregated into their nebular emission activity as quiescent, star-forming, and active galactic nuclei (AGNs). We emphasize that the variance of the input data in this work only relates to the absorption lines in the photospheres of the stellar populations. The sample is taken from the Sloan Digital Sky Survey (SDSS) in the stellar velocity dispersion range 100–150 km s −1 , to minimize the ‘blurring’ effect of the stellar motion. We restrict the analysis to the first three principal components (PCs) and find that PCA segregates the three types with the highest variance mapping SSP-equivalent age, along with an inextricable degeneracy with metallicity, even when all three PCs are included. Spectral fitting shows that stellar age dominates PC1, whereas PC2 and PC3 have a mixed dependence of age and metallicity. The trends support – independently of any model fitting – the hypothesis of an evolutionary sequence from star formation to AGN to quiescence. As a further test of the consistency of the analysis, we apply the same methodology in different spectral windows, finding similar trends, but the variance is maximal in the blue wavelength range, roughly around the 4000 Å break.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Simulating Wind Around Isolated Buildings with the System for Atmospheric Modeling

A method to represent the flow around obstacles such as buildings is implemented in the System for Atmospheric Modeling (SAM). The method, which we call a Quasi-Solid Box Method (QSBM), introduces a simple modification to the anelastic equations that forces the flow to stagnate within the obstacle's boundaries. The performance of the modified SAM is evaluated using CEDVAL (Compilation of Experimental Data for Validation of Microscale Dispersion Models) wind tunnel measurements of the wind and tracer dispersion around a single rectangular building. All major observed features of the flow are quite well reproduced. The dispersion of the tracer released at the building base is also simulated. The results of simulation of a flow around a cubic building rotated by 45 degrees relative to the flow, and around a building in the form of a cylinder of aspect ratio of one, are also presented.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

OC6 project Phase IV: validation of numerical models for novel floating offshore wind support structures

Abstract. This paper provides a summary of the work done within Phase IV of the Offshore Code Comparison Collaboration, Continued with Correlation and unCertainty (OC6) project, under International Energy Agency Wind Technology Collaboration Programme Task 30. This phase focused on validating the loading on and motion of a novel floating offshore wind system. Numerical models of a 3.6 MW horizontal-axis wind turbine atop the TetraSpar floating support structure were compared using measurement data from a 1:43-Froude-scale test performed in the University of Maine's Alfond Wind–Wave (W2) Ocean Engineering Laboratory. Participants in the project ran a series of simulations, including system equilibrium, surge offsets, free-decay tests, wind-only conditions, wave-only conditions, and a combination of wind and wave conditions. Validation of the models was performed by comparing the aerodynamic loading, floating support structure motion, tower base loading, mooring line tensions, and keel line tensions. The results show a relatively good estimation of the aerodynamic loading and a reasonable estimation of the platform motion and tower base fore–aft bending moment. However, there is a significant dispersion in the dynamic loading for the upwind mooring line. Very good agreement was observed between most of the numerical models and the experiment for the keel line tensions.

17 WIND ENERGY↗
NASA NTRS1983

Do all barium stars have a white dwarf companion?

International Ultraviolet Explorer short-wavelength, low-dispersion spectra were analyzed for four barium, two mild barium, and one R-type carbon star in order to test the hypothesis that the barium and related giants are produced by mass transfer from a companion now present as a white dwarf. An earlier tentative identification of a white dwarf companion to the mild barium star Zeta Cyg is confirmed. For the other stars, no ultraviolet excess attributable to a white dwarf is seen. Limits are set on the bolometric magnitude and age of a possible white dwarf companion. Since the barium stars do not have obvious progenitors among main-sequence and subgiant stars, mass transfer must be presumed to occur when the mass-gaining star is already on the giant branch. This restriction, and the white dwarf's minimum age, which is greater than 8 x 10 to the 8th yr, determined for several stars, effectively eliminates the hypothesis that mass transfer from an asymptotic giant branch star creates a barium star. Speculations are presented on alternative methods of producing a barium star in a binary system.

Dominy, J. F.↗
NASA NTRS1994

Metafusion: A breakthrough in metallurgy

The Metafuse Process is a patented development in the field of thin film coatings utilizing cold fusion which results in a true inter-dispersion of dissimilar materials along a gradual transition gradient through a boundary of several hundred atomic layers. The process is performed at ambient temperatures and pressures requiring relatively little energy and creating little or no heat. The process permits a remarkable range of material combinations and joining of materials which are normally incompatible. Initial applications include titanium carbide into and onto the copper resistance welding electrodes and tungsten carbide onto the cutting edges of tool steel blades. The process is achieved through application of an RF signal of low power and is based on the theory of vacancy fusion.

Joseph, Adrian A.↗
NASA NTRS1994

Kinematic signature of a rotating bar near a resonance

Recent work based on H I, star count and emission data suggests that the Milky Way has rotating bar-like features. In this paper, I show that such features cause distinctive stellar kinematic signatures near Outer Lindblad Resonance (OLR) and Inner Lindblad Resonance (ILR). The effect of these resonances may be observable far from the peak density of the pattern and relatively nearby the solar position. The details of the kinematic signatures depend on the evolutionary history of the 'bar' and therefore velocity data, both systematic and velocity dispersion, may be used to probe the evolutionary history as well as the present state of Galaxy. Kinematic models for a variety of sample scenarios are presented. Models with evolving pattern speeds show significantly stronger dispersion signatures than those with static pattern speeds, suggesting that useful observational constraints are possible. The models are applied to the proposed rotating spheroid and bar models; we find (1) none of these models chosen to represent the proposed large-scale rotating spheroid are consistent with the stellar kinematics and (2) a Galactic bar with semimajor axis of 3 kpc will cause a large increase in velocity dispersion in the vicinity of OLR (approximately 5 kpc) with little change in the net radial motion and such a signature is suggested by K-giant velocity data. Potential future observations and analyses are discussed.

Weinberg, Martin D.↗
NASA NTRS2018

HZETRN Radiation Transport Validation Using Balloon-Based Experimental Data

The deterministic radiation transport code HZETRN (High charge (Z) and Energy TRaNsport) was developed by NASA to study the effects of cosmic radiation on astronauts and instrumentation shielded by various materials. This work presents an analysis of computed differential flux from HZETRN compared with measurement data from three balloon-based experiments over a range of atmospheric depths, particle types, and energies. Model uncertainties were quantified using an interval-based validation metric that takes into account measurement uncertainty both in the flux and the energy at which it was measured. Average uncertainty metrics were computed for the entire dataset as well as subsets of the measurements (by experiment, particle type, energy, etc.) to reveal any specific trends of systematic over- or under-prediction by HZETRN. The distribution of individual model uncertainties was also investigated to study the range and dispersion of errors beyond just single scalar and interval metrics. The differential fluxes from HZETRN were generally well-correlated with balloon-based measurements; the median relative model difference across the entire dataset was determined to be 30%. The distribution of model uncertainties, however, revealed that the range of errors was relatively broad, with approximately 30% of the uncertainties exceeding ± 40%. The distribution also indicated that HZETRN systematically under-predicts the measurement dataset as a whole, with approximately 80% of the relative uncertainties having negative values. Instances of systematic bias for subsets of the data were also observed, including a significant underestimation of alpha particles and protons for energies below 2.5 GeV/u. Muons were found to be systematically over-predicted at atmospheric depths deeper than 50 g/cm(sup 2) but under-predicted for shallower depths. Furthermore, a systematic under-prediction of alpha particles and protons was observed below the geomagnetic cutoff, suggesting that improvements to the light ion production cross sections in HZETRN should be investigated.

James E Warner↗
DOE OSTI2019

Practical Challenges and Failure Modes During Fabrication of Haynes 230 Micro-Pin Solar Receivers for High Temperature Supercritical Carbon Dioxide Operation

Printed circuit heat exchangers (PCHX) fabricated from high nickel alloys have shown promise as primary heat exchangers, recuperators, and solar receivers for high temperature and pressure supercritical carbon dioxide power cycles. There are numerous challenges in fabricating these devices including forming channel features, joining via diffusion or transient liquid phase bonding, and brazing/welding of headers. Commercial entities are understandably hesitant to share propriety best practices, and both commercial and non-commercial entities working on these components tend not to publically share failures and mistakes. However, sharing of this information could prevent similar costly errors and further the understanding of the coupled manufacturing, materials and mechanics issues in creating these components. Thus, in this paper, we document the challenges, failures, and mitigation methods uncovered in fabrication of prototype micro-pin based solar thermal receivers constructed of Haynes 230 and fabricated through a combination of photochemical machining (PCM), wire electrical discharge machining (EDM), transient liquid phase (TLP) bonding, vacuum brazing, and gas tungsten arc welding (GTAW). The receiver is designed to absorb concentrated solar fluxes greater than 140 W cm-2, while heating supercritical carbon dioxide from 550 °C to 720 °C at a pressure of 20 MPa to 25 MPa. The prototype receiver consists of a thin (~ 450 µm), Haynes 230 coversheet bonded to a 15 cm × 15 cm Haynes 230 micro-pin plate. The pieces are joined using a TLP bonding process with a nickel-phosphorus interlayer. Prior to bonding, micro-pins with height ~150 µm and diameter 300 µm are fabricated using PCM in the plate, and through slot features are made using wire EDM. Finally, flow headers are joined to the microchannel plate through a combination of vacuum brazing and GTAW. During hydrostatic proof testing, the prototype device failed when the coversheet delaminated from the pin array at a pressure of 290 bar. A failure analysis including scanning electron microscopy (SEM) to view failure sites and energy-dispersive X-ray spectroscopy (EDS) to evaluate elemental analysis of the failed areas was conducted. The failure modes can be broadly categorized as (1) failures potentially relating to reliquification of the transient liquid phase bonds between the micro-pins plate and coversheet during post-processing, (2) failures related to manufacturing defects, and (3) failures attributed to design.

14 SOLAR ENERGY↗
DOE OSTI2022

Probing the hydrolytic degradation of UF 4 in humid air

This manuscript describes the chemical transformations that occur during hydrolysis of uranium tetrafluoride (UF 4 ) due to its storage in humid air (85% and 50% relative humidity) at ambient temperatures. This hydrolysis was previously reported to proceed slowly or not at all (depending on the percent relative humidity); however, previous reports relied primarily on X-ray diffraction methods to probe uranium speciation. Here, we employ a battery of physiochemical probing techniques to explore potential hydrolysis, including Raman spectroscopy, powder X-ray diffraction, 19 F nuclear magnetic resonance spectroscopy, scanning electron microscopy, and focused ion beam microscopy with energy-dispersive X-ray spectroscopy. Of these, only Raman spectroscopy proved to be particularly useful at observing chemical changes to UF 4 . It was found that anhydrous UF 4 slightly oxidizes over the course of thirteen days to Schoepite-like uranium complexes and possibly UO 3 . In contrast, UF 4 exposed to 50% relative humidity slightly decomposes into UO 2 F 2 , Schoepite-like uranium complexes, and possibly a high order uranium oxide that eluded chemical assignment (U x O y ). Despite the rich chemical speciation observed in our Raman spectroscopy measurements, X-ray diffraction and 19 F NMR measurements on the same material showed no changes. Microscopy measurements suggest that the observed reactions between UF 4 and water occur primarily on the surface of UF 4 particulates via a method that is visually similar to surface corrosion of metals. Therefore, we postulate that NMR spectroscopy and X-ray diffraction, which are well-suited for bulk analysis, are less suited than Raman spectroscopy to observe the surface-based reactions that occur to UF 4 when exposed to humid air. Considering the importance of UF 4 in the production of nuclear fuel and weapons, the results presented herein are widely applicable to numerous nuclear science fields where uranium detection and speciation in humid environments is of value, including nuclear nonproliferation and nuclear forensics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

On the statistical theory of self-gravitating collisionless dark matter flow: High order kinematic and dynamic relations

Dark matter, if it exists, accounts for five times as much as ordinary baryonic matter. To better understand the self-gravitating collisionless dark matter flow on different scales, a statistical theory involving kinematic and dynamic relations must be developed for different types of flow, e.g., incompressible, constant divergence, and irrotational flow. This is mathematically challenging because of the intrinsic complexity of dark matter flow and the lack of a self-closed description of flow velocity. Here, this paper extends our previous work on second-order statistics Xu to kinematic relations of any order for any type of flow. Dynamic relations were also developed to relate statistical measures of different orders. The results were validated by N-body simulations. On large scales, we found that (i) third-order velocity correlations can be related to density correlation or pairwise velocity; (ii) the pth-order velocity correlations follow ∝ a (p+2)/2 for odd p and ∝ a p/2 for even p, where a is the scale factor; (iii) the overdensity δ is proportional to density correlation on the same scale, $\langle$δ$\rangle$∝$\langle$δδ'$\rangle$; (iv) velocity dispersion on a given scale r is proportional to the overdensity on the same scale. On small scales, (i) a self-closed velocity evolution is developed by decomposing the velocity into motion in haloes and motion of haloes; (ii) the evolution of vorticity and enstrophy are derived from the evolution of velocity; (iii) dynamic relations are derived to relate second- and third-order correlations; (iv) while the first moment of pairwise velocity follows $\langle$Δu L $\rangle$=-Har (H is the Hubble parameter), the third moment follows $\langle$(Δu L ) 3 $\rangle$ ∝ ε u ar that can be directly compared with simulations and observations, where ε u ≈ 10 -7 m 2 /s 3 is the constant rate for energy cascade; (v) the pth order velocity correlations follow ∝ a (3p-5)/4 for odd p and ∝ a 3p/4 for even p. Finally, the combined kinematic and dynamic relations lead to exponential and one-fourth power-law velocity correlations on large and small scales, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

FD-TD modeling of 2-D dielectric waveguides for propagation and scattering of femtosecond optical solitons

Experimentalists have produced all-optical switches capable of 100-fs responses. To adequately model such switches, nonlinear effects in optical materials (both instantaneous and dispersive) must be included. In principle, the behavior of electromagnetic fields in nonlinear dielectrics can be determined by solving Maxwell's equations subject to the assumption that the electric polarization has a nonlinear relation to the electric field. However, until our previous work, the resulting nonlinear Maxwell's equations have not been solved directly. Rather, approximations have been made that result in a class of generalized nonlinear Schrodinger equations (GNLSE) that solve only for the envelope of the optical pulses. In this paper, we present first-time calculations from the vector nonlinear Maxwell's equations of femtosecond soliton propagation and scattering, including carrier waves, in two-dimensional systems of dielectric waveguides exhibiting the Kerr and Raman quantum effects. We use the finite-difference time-domain (FD-TD) method in an extension of our 1-D work. There, in a fundamental innovation, we treated the linear and nonlinear convolutions for the electric polarization as new dependent variables. By differentiating these convolutions in the time domain, we derived an equivalent system of coupled, nonlinear second-order ODE's. These equations together with Maxwell's equations form the system that is solved to determine the electromagnetic fields in inhomogeneous nonlinear dispersive media. Backstorage in time is limited to only that needed by the time-integration algorithm for the ODE's, rather than that needed to store the time-history of the kernel functions of the convolutions (1000-10,000 time steps). Thus, a 2-D nonlinear optics model from Maxwell's equations is now feasible.

Joseph, Rose↗
DOE OSTI2026

Self‐Limiting Polymerization‐Induced Crystallization‐Driven Self‐Assembly (SL‐PI‐CDSA) Enables Templated Synthesis of Chiral Plasmonic, Hybrid 2D Hexagonal Assemblies

Examples of self-regulating synthetic self-assembly are relatively few, with most known chemical systems relying on kinetic rather than thermodynamic control. Herein, we demonstrate the rapid generation (t ≤ 5 min) of size-tunable ultralow dispersity (Ð ≤ 1.01) 2D hexagonal nanosheets governed by self-limiting self-assembly (SLSA). Self-assembly in natural systems occurs with exquisite control of structure, function, and dimension. We demonstrate that key aspects of biological assembly can be rationally applied toward the development of bottom-up approaches for the construction of chiral nanomaterials. To this end, self-limiting polymerization-induced crystallization-driven self-assembly (SL-PI-CDSA) of modular and templating aryl isocyanide (AIC) monomers yields functional 2D assemblies permitting post-polymerization/assembly modifications. Detailed study of the internal and external structure of the hexagonal nanosheets reveals topological defects which offer mechanistic insights into both their assembly and subsequent utilization. Specifically, these features enable fabrication of chiral hybrid organic–inorganic nanomaterials incorporating chiral plasmonic metal nanoparticles (MNPs). Our results suggest that the synergistic interplay of template-driven confinement and hierarchical chirality induce symmetry breaking of in situ-generated gold MNPs. We anticipate that the platform presented will facilitate fabrication of new hybrid, chiral organic–inorganic nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Geometrical optics without singularities: using the ray time as the coordinate space

Geometrical optics (GO) is widely used for reduced modelling of waves in plasmas, but it fails near reflection points, where it predicts a spurious singularity of the wave amplitude. We show how to avoid this singularity by adopting a different representation of the wave equation. Instead of the physical coordinate 𝑥 and the wavevector 𝑘, we use the ray time 𝜏 as the new canonical coordinate and the ray energy ℎ as the associated canonical momentum. To derive the envelope equation in the 𝜏-representation, we construct the Weyl symbol calculus on the (𝜏,ℎ) space and show that the corresponding Weyl symbols are related to their (𝑥,𝑘) counterparts by the Airy transform. This allows us to express the coefficients in the envelope equation through the known properties of the original dispersion operator. When necessary, solutions of this equation can be mapped to the 𝑥-space using a generalised metaplectic transform. However, the field per se might not even be needed in practice. Instead, knowing the corresponding Wigner function usually suffices for linear and quasilinear calculations. As a Weyl symbol itself, the Wigner function can be mapped analytically, using the aforementioned Airy transform. We show that the standard Airy patterns that form in regions where conventional GO fails are successfully reproduced within metaplectic GO (MGO) simply by remapping the field from the 𝜏-space to the 𝑥-space. An extension to mode-converting waves is also presented. This formulation, which we call generalised MGO, can be particularly useful, for example, for reduced modelling of the O–X conversion in inhomogeneous plasma near the critical density, an effect that is important for fusion applications and also occurs in the ionosphere. Overall, MGO can replace GO for any practical purposes, because it better handles cutoffs and is similar otherwise.

plasma waves↗
DOE OSTI2020

Parallelized Screening of Characterized and DFT-Modeled Bimetallic Colloidal Cocatalysts for Photocatalytic Hydrogen Evolution

Using a newly designed and developed parallelized photoreactor and colorimetric detection method, a large sampling of bimetallic co-catalysts (Pd/Sn, Pd/Mo, Pd/Ru, Pd/Pb, Pd/Ni, Ni/Sn, Mo/Sn and Pt/Sn) for photocatalytic water reduction have been tested in this work. Of these co-catalysts, the combination of palladium and tin showed the highest synergistic behavior and peak hydrogen gas production at a low relative fraction of palladium. The resulting Pd/Sn bimetallic co-catalysts were characterized using high-angle annular dark-field (HAADF) and scanning transmission electron microscopy energy dispersive X-ray spectroscopy (STEM-EDS), and specifically, investigation of the palladium/tin mixture indicated that palladium and tin elements reside within the same particle. The experimental catalytic activity for the palladium/tin mixture was compared to density functional theory-derived energy values associated with the adsorption of hydrogen onto a surface. This comparison demonstrated that the typical peak found in electrochemical Sabatier volcano plots at ΔG H* = ~0 eV was replicated in the experimental photocatalytic system with a peak activity observed at ΔG H* = -0.036 eV. Computational confirmation of the results expressed here demonstrates the efficacy of colorimetric detection of hydrogen in parallel and presents a model for increasingly rapid catalyst screening.

08 HYDROGEN↗