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At least 37 records · Page 2

An investigation of the physical and chemical changes of Pd nanoparticles on carbon supports in response to the release of hydrogen from aqueous formate solutions

Palladium nanoparticles on carbon supports (Pd/C) are effective for catalyzing hydrogen release from aqueous formate solutions but typically suffer from a gradual decrease of activity. This study finds two primary factors influencing activity: (i) the number of available surface Pd sites, and (ii) metal-support interactions which depend on the nature of the C support. We propose that the Pd/C catalyst is structure insensitive and undergoes Ostwald ripening to yield an active ‘conditioned’ catalyst with dispersion plateauing between ca. 15–20 %. Contrary to earlier studies, in-situ XANES experiments show that PdO is not an active catalyst for formate dehydrogenation. Calcination of Pd/C before dehydrogenation increases the catalytic activity which suggests a beneficial, albeit temporary, modification of the metal support interaction. N-containing supports minimize nanoparticle growth and also increase activity through a metal-support interaction. In conclusion, these findings advance our understanding of catalyst evolution and stability in formate dehydrogenation systems.

Formate dehydrogenation

Boosting CO2R Performance of Ag Electrocatalysts by Sulfur-Doped Carbon Support

We find that S-doped carbon support can boost the CO2 reduction (CO2R) performance of Ag electrocatalysts. Firstly, surface science enabled electrocatalysis showed that Ag supported on S-doped highly oriented pyrolytic graphite (HOPG), a model electrocatalyst, demonstrated 100% higher CO turnover frequency (TOFCO = 3.6 ± 0.2 CO/atomAg/s) than that supported on S-free HOPG (TOFCO = 1.8 ± 0.2 CO/atomAg/s). Computational modeling based on density functional theory (DFT) revealed a more stabilized *COOH intermediate on Ag supported on S-doped carbon and thus a more favorable energetic pathway of CO2-to-CO, consistent with experimental results from the model electrocatalysts studies. Finally, this proof of concept was translated to the synthesis of powder electrocatalyst with 2 wt% Ag supported on S-doped carbon black, demonstrating > 40-fold high CO mass activity than a commercial Ag cathode with steady FECO ~ 96% at 100 mA/cm2 for 50 hours of continuous operation in a gas diffusion electrode (GDE) electrolyzer. For comparison, 2 wt% Ag supported on carbon black without S- doping showed a maximum FECO ~ 70% at 100 mA/cm2. This work demonstrates a successful bottom-up design of CO2R electrocatalysts guided by surface science enabled electrocatalysis.

CO2 conversion

Operando carbon corrosion measurements in fuel cells using boron-doped carbon supports

Carbonaceous materials are the most common catalyst supports in proton exchange membrane fuel cell (PEMFCs), yet their corrosion is one of the limiting factors in achieving high durability. Herein, we doped carbon supports with boron (B) to increase the corrosion-resistance of the support. Two types of B-doped carbons were synthesized and studied as platinum support materials. Further, they varied in their morphologies, surface areas, and the types of boron species. The durability of Pt/B-doped carbon catalysts was investigated using the US-DOE catalysts’ supports accelerated stress test (AST) and a mass-spectrometer connected to the fuel cell effluent stream to quantify the mass of corroded carbon support in operando. The addition of boron to the carbon increased the stability of Pt catalysts in long-term usage of PEMFC. After 4000 AST cycles, more than 50% of initial current density was preserved for the boron-containing systems, while less than 30% of it remained with Vulcan carbon (Pt/V). Also, the Pt/B-doped carbon samples demonstrated better electrochemical active surface area (ECSA) stability when compared to Pt/V. Carbon loss measurements showed that B-doped carbons have higher resistance to electrochemical corrosion than unmodified carbon. Specifically, the substitutional boron-doped carbon demonstrated an extremely high stability and low corrosion rate.

25 ENERGY STORAGE

Dual-Wavelength Simultaneous Patterning of Degradable Thermoset Supports for One-Pot Embedded 3D Printing

Vat photopolymerization (VP) techniques have enabled the fabrication of complex geometries while balancing high precision and fast processing times. 3D printed objects are traditionally built layer-by-layer with newly cured layers being structurally supported by previous ones. Fabricating unsupported features such as overhangs and arches risks misalignment and sagging, limiting the range of accessible designs. To overcome this issue, support structures are fabricated along with the primary object as temporary scaffolds that provide stability and conserve print fidelity. For VP specifically, patterning dissolvable sacrificial supports is attractive to avoid manual removal after printing. In this study, we demonstrate a base-degradable thermoset to pattern print supports in a one-pot formulation along with the primary structural material. Efficient printing is enabled using a dual-wavelength negative imaging (DWNI) DLP printer that patterns the degradable thermoset with visible light and the permanent network with UV light, which are simultaneously projected using a single digital micromirror device (DMD). Printed objects undergo thermal postprocessing to enhance the final conversion of the primary material, after which thermoset supports are degraded in a basic, aqueous solution. This approach provides a robust method for the dual-wavelength patterning of sacrificial thermoset supports, broadening the range of accessible 3D printable materials and geometries.

3D printing

Clear Sky Toolkit: Decision Support User Guide

The Clear Sky Decision Support Template is a Microsoft Excel-based resource that enables users to screen and prioritize critical facilities for the addition of solar + storage. The Decision Support Template consolidates and streamlines the most relevant resources from the emergency management discipline, the electric utility sector, and national energy research institutions to assist in further site analysis and decision-making. The Decision Support Template is intended for use by local government and private sector decision-makers who aim to mitigate the effects of power outages on critical infrastructure, understand the potential for deploying photovoltaic (PV) and storage solutions on critical facilities, and align emergency management planning processes and utility needs with community resilience objectives. The Decision Support Template is divided into five modules that provide a structured, step-by-step approach users can follow and apply to unique circumstances. This process guides a more thorough and accurate assessment of a site's potential to accommodate a solar + storage system, provide grid benefits to utilities, and support community resilience and disaster mitigation for the broader region. After identifying potentially viable and preferred sites for solar + storage using the Decision Support Template, users should conduct a more detailed evaluation and consultation with a solar professional.

29 ENERGY PLANNING, POLICY, AND ECONOMY

Sulfur-Doped Carbon Support Boosts CO2RR Activity of Ag Electrocatalysts

For presentation at the 70th AVS International Symposium and Exhibition. In this work, we show that the activity of Ag electrocatalysts for electrochemical CO2 to CO conversion is improved when supported on sulfur-doped (S-doped) carbon materials. S-doped carbon support was created by treating the heavily sputtered, highly oriented pyrolytic graphite (HOPG) in H2S at elevated temperatures, as confirmed by the S 2p X-ray photoelectron spectroscopy (XPS) peak. Scanning tunneling microscopy (STM) images indicated that Ag nanoparticles supported on S-doped HOPG had similar size distributions as those supported on sulfur-free (S-free) HOPG. While both catalysts reached > 90% CO Faradaic efficiency (FECO) at E = -1.3 V vs. the reversible hydrogen electrode (RHE) in the CO2 reduction reaction (CO2RR), Ag catalysts supported on S-doped HOPG demonstrated 70% higher CO turnover frequency (TOFCO = 3.4 CO/atomAg/s) than those supported on S-free HOPG (TOFCO = 2.0 CO/atomAg/s). Preliminary calculations based on density functional theory (DFT) indicated a more favorable energetic pathway of CO2-to-CO at the C-S-Ag interface, tentatively consistent with experiments. These results hint at a new approach to design active and selective electrocatalysts for CO2 conversion.

Deng, Xingyi

Supports with integrated sensors for nuclear reactor steam generators, and associated systems and methods

Supports with integrated sensors for nuclear reactor steam generators, and associated systems and methods, are disclosed. A representative method for forming a nuclear-powered steam generator includes forming an instrumented support, the instrumented support including a carrier portion and a retainer portion, with at least one of the carrier portion or the retainer portion being integrally formed with a sensor via an additive manufacturing process. The method can further include coupling the sensor to a communication link, supporting a helical steam conduit on the instrumented support, and installing the helical steam conduit and the instrumented support in a nuclear reactor. The helical steam conduit is positioned along a primary flow path, which is in turn positioned to circulate a heated primary flow in thermal communication with the helical steam conduit.

Welter, Kent

Fabrication and Scale-Up of Porous Polybenzimidazole (PBI) Supports for Gas Separation Composite Membranes

Industrial gas separation often uses thin film composite (TFC) membranes comprising a porous support overlaid with a single-/multi-layer gas-selective thin film. An optimal porous support should possess high surface porosity to minimize gas transport resistance and nano-sized pores to ease pore penetration occurring during the thin film coating process. Good chemical and thermal stabilities are essential to withstand the aggressive solvents and heat required for the thin film coating and curing. However, few porous membranes satisfy all these requirements. This study presents a scalable membrane formation method of making highly porous polybenzimidazole (PBI) supports via non-solvent induced phase separation. This presentation also details the scale-up fabrication of PBI supports using a custom roll-to-roll membrane casting machine.

gas separation

Towards Next-Generation Urban Decision Support Systems through AI-Powered Construction of Scientific Ontology Using Large Language Models—A Case in Optimizing Intermodal Freight Transportation

The incorporation of Artificial Intelligence (AI) models into various optimization systems is on the rise. However, addressing complex urban and environmental management challenges often demands deep expertise in domain science and informatics. This expertise is essential for deriving data and simulation-driven insights that support informed decision-making. In this context, we investigate the potential of leveraging the pre-trained Large Language Models (LLMs) to create knowledge representations for supporting operations research. By adopting ChatGPT-4 API as the reasoning core, we outline an applied workflow that encompasses natural language processing, Methontology-based prompt tuning, and Generative Pre-trained Transformer (GPT), to automate the construction of scenario-based ontologies using existing research articles and technical manuals of urban datasets and simulations. From these ontologies, knowledge graphs can be derived using widely adopted formats and protocols, guiding various tasks towards data-informed decision support. The performance of our methodology is evaluated through a comparative analysis that contrasts our AI-generated ontology with the widely recognized pizza ontology, commonly used in tutorials for popular ontology software. We conclude with a real-world case study on optimizing the complex system of multi-modal freight transportation. Our approach advances urban decision support systems by enhancing data and metadata modeling, improving data integration and simulation coupling, and guiding the development of decision support strategies and essential software components.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION

CO 2 Oxidative Ethane Dehydrogenation on CeO 2 /SiO 2 ‐Supported NiFe 3 Catalysts

CO 2 -assisted oxidative dehydrogenation of ethane is a sustainable alternative to steam cracking for ethylene production. In this study, a series of CeO 2 on SiO 2 supported NiFe 3 catalysts were synthesized by incipient wetness impregnation and tested for oxidative dehydrogenation performance. The CeO 2 /SiO 2 supported catalysts with high weight loading of CeO 2 (50%–75%) provided higher activity than the lower CeO 2 (0%–25%) loaded catalysts (with ethylene production rates of 0.62–0.98 µmol/g cat /s and 0.19–0.3 µmol/g cat /s, respectively) while maintaining high ethylene selectivity (43%–45%). In contrast, the NiFe 3 supported on only CeO 2 also exhibited high activity (ethylene production rate of 0.71 µmol/g cat /s), but the ethylene selectivity (16%) was greatly decreased compared to the mixed system. Temperature programmed reduction, X-ray diffraction, and Raman spectroscopy all indicate the creation of a solid solution of the Fe and Ni doped into the CeO 2 crystal structure in the catalysts with high CeO 2 loading/bulk CeO 2 support. Here, the high ethylene selectivity in the high CeO 2 loading catalysts indicates that the Fe is preferentially creating the solid solution, with the decrease in selectivity observed in the CeO 2 -only supported catalyst likely resulting from CeO 2 interacting directly with Ni, creating Ni-CeO X interfaces that are known active sites for the unwanted side reaction of dry reforming.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Characterization of SimulCam, a standoff Raman system for scientific support of SuperCam operations on Mars

During the development activities of SuperCam Calibration Target, target intended for one of the two first Raman instruments to be deployed on another planetary body, our group developed a laboratory instrument that could simulate to some extent the Raman capabilities of one of such instruments and could provide data with similar quality. The use of this kind of laboratory instruments has demonstrated its utility in the evaluation of potential calibration targets or anticipating the science outcome that an instrument could provide. The present work describes our laboratory setup to support SuperCam, evaluating similarities between both instruments, despite of differences in the hardware. Evaluation of data gathered by SuperCam on Mars and the availability of one replica of SuperCam’s Calibration Target allowed the comparison on the same set of targets, demonstrating how similar Signal-to-Noise Ratio (SNR) could be achieved from both instruments. The higher energy per pulse on SimulCam is compensated by a greater analytical footprint and the use of smaller collection optics. The results show how spectra obtained at representative distances of SuperCam are comparable. Operational principles are also comparable in terms of time resolution, and close in terms of spectral resolution. This similarity has allowed different science support works using SimulCam data, as well as the support to Mars detections using our setup. We provide examples of this support that will be shared with the community in different papers, as well as examples of possible operations activities that could benefit from experiments performed with SimulCam. We show how this setup can complement the two laboratory replicas in Los Alamos and Toulouse in providing support data to different experiments.

47 OTHER INSTRUMENTATION

Elucidating the role of surface species in CO oxidation catalyzed by boron nitride nanotube supported transition metal oxides

Boron nitride nanotube (BNNT) is considered a highly promising catalyst support due to its outstanding thermal stability and chemical inertness. These characteristics make BNNT an attractive alternative for high-temperature applications. However, most studies to date have focused on incorporating platinum group metals (PGMs) to achieve high activity. Although BNNT-supported PGM catalysts are highly effective, their scarcity and high cost hinder widespread use in industrial processes. In this study, BNNT-supported transition metal oxides (TMO x /BNNT; TM = Fe, Co, Ni, and Cu) catalysts were investigated, and CO oxidation was applied as a model reaction to evaluate their catalytic performance. Several characterization techniques, including SEM-EDX, TEM, SXRD, H 2 -TPR, and XPS, were employed to examine their physicochemical properties. Notably, the particle size of the metal oxides differed significantly depending on the metal type. This variation is primarily attributed to the inherent metal–support interactions and the thermodynamic stability of each oxide during synthesis. These properties also affected catalytic activity, and various parameters, such as oxygen mobility and redox behavior, played important roles in determining performance. Finally, in situ DRIFTS, CO-TPSR, reaction-order analysis, and 18 O 2 isotope-labeling experiment were used to investigate the reaction mechanism. In conclusion, the findings provide insights into the design of cost-effective BNNT-supported catalysts and highlight their potential applicability in oxidation reactions.

36 MATERIALS SCIENCE

Enhancing the Carbon Monoxide Oxidation Performance through Surface Defect Enrichment of Ceria-Based Supports for Platinum Catalyst

Effective synthesis and application of single-atom catalysts on supports lacking enough defects remain a significant challenge in environmental catalysis. Herein, we present a universal defect-enrichment strategy to increase the surface defects of CeO 2 -based supports through H 2 reduction pretreatment. The Pt catalysts supported by defective CeO 2 -based supports, including CeO 2 , CeZrO x , and CeO 2 /Al 2 O 3 (CA), exhibit much higher Pt dispersion and CO oxidation activity upon reduction activation compared to their counterpart catalysts without defect enrichment. Specifically, Pt is present as embedded single atoms on the CA support with enriched surface defects (CA-HD) based on which the highly active catalyst showing embedded Pt clusters (Pt C ) with the bottom layer of Pt atoms substituting the Ce cations in the CeO 2 surface lattice can be obtained through reduction activation. Embedded PtC can better facilitate CO adsorption and promote O 2 activation at Pt C –CeO 2 interfaces, thereby contributing to the superior low-temperature CO oxidation activity of the Pt/CA-HD catalyst after activation.

36 MATERIALS SCIENCE

SDSS-IV MaNGA: stellar rotational support in disc galaxies versus central surface density and stellar population age

ABSTRACT We investigate how the stellar rotational support changes as a function of spatially resolved stellar population age ($D_n4000$) and relative central stellar surface density ($\Delta \Sigma _1$) for MaNGA isolated/central disc galaxies. We find that the galaxy rotational support indicator $\lambda _{R_\mathrm{e}}$ varies smoothly as a function of $\Delta \Sigma _1$ and $D_n4000$. $D_n4000$ versus $\Delta \Sigma _1$ follows a ‘J-shape’, with $\lambda _{R_\mathrm{e}}$ contributing to the scatters. In this ‘J-shaped’ pattern rotational support increases with central $D_n4000$ when $\Delta \Sigma _1$ is low but decreases with $\Delta \Sigma _1$ when $\Delta \Sigma _1$ is high. Restricting attention to low-$\Delta \Sigma _1$ (i.e. large-radius) galaxies, we suggest that the trend of increasing rotational support with $D_n4000$ for these objects is produced by a mix of two different processes, a primary trend characterized by growth in $\lambda _{R_\mathrm{e}}$ along with mass through gas accretion, on top of which disturbance episodes are overlaid, which reduce rotational support and trigger increased star formation. An additional finding is that star-forming galaxies with low $\Delta \Sigma _1$ have relatively larger radii than galaxies with higher $\Delta \Sigma _1$ at fixed stellar mass. Assuming that these relative radii rankings are preserved while galaxies are star forming then implies clear evolutionary paths in central $D_n4000$ versus $\Delta \Sigma _1$. The paper closes with comments on the implications that these paths have for the evolution of pseudo-bulges versus classical bulges. The utility of using $\rm D_n4000$–$\Delta \Sigma _1$ to study $\lambda _{R_\mathrm{e}}$ reinforces the notion that galaxy kinematics correlate both with structure and with stellar-population state, and indicates the importance of a multidimensional description for understanding bulge and galaxy evolution.

Wang, Xiaohan (ORCID:0009000283121002)

Purpose, Design, and Analysis of the NSTX-U Centerstack Casing Lateral Support Shims

The National Spherical Torus Experiment Upgrade (NSTX-U) centerstack casing surrounds the central magnet core of NSTXU. It provides the inner vacuum boundary of the plasma chamber and supports the radially inboard plasma facing components lining the plasma chamber. The casing is supported like a cantilever, fixed at the lower flange by a connection to the TF Bundle through a G-10 ring. It is flexibly supported at the top by bellows, and insulated shims intended to react the largest part of the inventory of the disruption loads at the upper support, thereby protecting the upper and lower connections from excessive loads. A large part of the qualification of the casing and tiles requires addressing and quantifying disruption loads. These have been estimated based on extensions of the behavior of NSTX during its run period roughly 15 years ago. Structural qualification of the Upgrade used these estimates of the loading as input to calculations to demonstrate adequacy for a “most probable” disruption. The estimates are included in a requirements document to guide conservative design of all components loaded by disruptions. However, the changes made for the upgrade made the extrapolation of disruption behavior uncertain. Disruptions include axisymmetric loading from axisymmetric currents induced in the vessel shells. In addition, more complex currents called Halo currents are a result of plasma poloidal currents impinging on the casing. The halo currents add another layer of uncertain behavior and net lateral loading to the casing. As a result, NSTX-U is equipped with a number of instruments intended to assess the nature and severity of disruptions. The casing shims are required for lateral support of the casing, but these have also been converted to load cells to provide another measure of the magnitude of symmetric and asymmetric loading. Some of the logic in the development of the requirements document are presented. Electromagnetic analysis of axisymmetric and halo loading is described. Global simulations of the casing transient dynamic response, and local analysis and testing of the shim/load cell are included. The shim load cells and other instrumentation will be an important guide in planning NSTX-U experiments beyond its next run period expected in late 2026 or early 2027.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Predicting Adhesion Energies of Metal Nanoparticles to Support Surfaces, Which Determines Metal Chemical Potential versus Particle Size and Thus Catalyst Performance

Improved catalysts and electrocatalysts composed of transition metal nanoparticles dispersed on high-area supports are essential for energy and environmental technologies. The chemical potential of the metal atoms in these supported nanoparticles is an important descriptor that correlates with both their catalytic activity and deactivation rate. This descriptor (μ M ) is predictably determined by the particle size and the adhesion energy per unit area at the metal/support interface (E adh ). We show here that the adhesion energies for different metals on a given support scale linearly with a simple property of the metal: for oxides, it is proportional to the metal oxophilicity, and for the carbon support, it increases linearly with metal carbophilicity (both divided by the area per metal atom). Furthermore, these relationships allow predicting E adh for other metal/support combinations, thus allowing estimation of μ M versus particle size and thereby better structure-based predictions of catalysts’ performance, which can aid in designing improved catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Dynamic Metal–Support Interaction Dictates Cu Nanoparticle Sintering on Al 2 O 3 Surfaces

Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model based on the Perdew–Burke–Ernzerhof approximation of density functional theory for Cu nanoparticles on three Al 2 O 3 surfaces (γ-Al 2 O 3 (100), γ-Al 2 O 3 (110), and α-Al 2 O 3 (0001)). Using DP-accelerated simulations, we reveal that the nanoparticle size-mobility relationship strongly depends on the supporting surface. The diffusion of nanoparticles on the two γ-Al 2 O 3 surfaces is almost independent of the size of the nanoparticle, while the diffusion on α-Al 2 O 3 (0001) decreases rapidly with increasing size. Interestingly, nanoparticles with fewer than 55 atoms diffuse several times faster on α-Al 2 O 3 (0001) than on γ-Al 2 O 3 (100) at 800 K while expected to be more sluggish based on their larger binding energy at 0 K. The diffusion on α-Al 2 O 3 (0001) is facilitated by dynamic metal–support interaction (MSI), where Al atoms move out of the surface plane to optimize contact with the nanoparticle and relax back to the plane as the nanoparticle moves away. In contrast, the MSI on γ-Al 2 O 3 (100) and on γ-Al 2 O 3 (110) is dominated by more stable and directional Cu–O bonds, consistent with the limited diffusion observed on these surfaces. Our extended MD simulations provide insight into the sintering processes, showing that the dispersity of the nanoparticles strongly influences the coalescence driven by nanoparticle diffusion. We observed that the coalescence of Cu 13 nanoparticles on α-Al 2 O 3 (0001) can occur in a short time (10 ns) at 800 K even with an initial internanoparticle distance increased to 3 nm, while the coalescence on the two γ-Al 2 O 3 surfaces are inhibited significantly by increasing the initial internanoparticle distance. These findings demonstrate that the dynamics of the supporting surface is crucial to understanding the sintering mechanism and offer guidance for designing sinter-resistant catalysts by engineering the support morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Enhancing Metal‐Support Interactions of Ru Catalysts via Relaxation of Oxygen Vacancies for Hydrogen Production

The stability of Ru-based catalysts under harsh electrochemical conditions is a critical challenge limiting their practical application in energy conversion systems. In this study, Ru catalysts supported on ZrO 2-x , CeO 2-x , and ZrCeO 2-x are synthesized via pyrolysis of metal-organic frameworks (MOFs) and systematically evaluated to elucidate the role of support interactions on catalytic performance and durability. Advanced characterization techniques, including HR-TEM, XRD, XPS, and EXAFS, revealed that Ru-ZrCeO 2-x exhibited superior structural stability compared to Ru-ZrO 2-x and Ru-CeO 2-x , particularly under high-potential sweep (HPS) conditions. The incorporation of Ce into ZrO 2-x is shown to stabilize oxygen vacancies and enhance the interaction between Ru catalyst and the support, thereby mitigating catalyst degradation. Density functional theory (DFT) calculations further confirmed that Ce doping decreases formation energy of the oxygen vacancy, providing a thermodynamically favorable environment for Ru stabilization. This work demonstrates the promise of ZrCeO 2-x as a robust support material for Ru-based catalysts, advancing their potential for durable and efficient energy applications.

hydrogen evolution reaction