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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optical Investigation of Catalyst Heating Operation in a Light-Duty Compression-Ignition Engine

It is well known that cold start engine operation contributes a majority of tail-pipe emissions during a vehicle drive cycle. Aftertreatment catalysts have poor conversion efficiency during this period due to low conversion efficiency at temperatures less than their light-off temperature. A late post injection strategy, with a delayed injection to increase exhaust enthalpy, can help decrease the time required to heat-up the catalyst. However, late injections into conditions with decreasing temperature and density can result in high emissions and combustion instability. In this study a three-injection strategy with a late-post injection was investigated in an optically-accessible engine. For the first two injections (pilot and main) timing and duration were held constant as the post injection timing was swept and duration varied to hold load constant, at a relevant light-load catalyst heating operating condition. Simultaneous double-pass schlieren and OH chemiluminescence data were acquired in an optically-accessible 0.4 L single-cylinder engine to understand spray characteristics and combustion behavior for #2 diesel fuel. Optical images analysis revealed higher liquid penetration and lower vaporization of the liquid fuel jet as post injection is retarded. It is also observed that retarding post injection timing to +25 CAD resulted in lower observed soot concentration in the piston bowl.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2005

A Theoretical Investigation of Oxidation Efficiency of a Volatile Removal Assembly Reactor Under Microgravity Conditions

Volatile Removal Assembly (VRA) is a subsystem of the Closed Environment Life Support System (CELSS) installed in the International Space Station. It is used for removing contaminants (volatile organics) in the wastewater produced by the space station crews. The major contaminants are formic acid, ethanol, and propylene glycol. The VRA contains a slim packbed reactor (3.5 cm diameter and four 28 cm long tubes in series) to perform catalyst oxidation of wastewater at elevated pressure and temperature under microgravity conditions. In the reactor, the contaminants are burned with oxygen gas (O2) to form water and carbon dioxide (CO2) that dissolves in the water stream. Optimal design of the reactor requires a thorough understanding about how the reactor performs under microgravity conditions. The objective of this study was to develop a mathematical model to interpret experimental data obtained from normal and microgravity conditions, and to predict the performance of VRA reactor under microgravity conditions. Catalyst oxidation kinetics and the total oxygen-water contact area control the efficiency of catalyst oxidation for mass transfer, which depends on oxygen gas holdup and distribution in the reactor. The process involves bubbly flow in porous media with chemical reactions in microgravity environment. This presents a unique problem in fluid dynamics that has not been studied. Guo et al. (2004) developed a mathematical model that predicts oxygen holdup in the VRA reactor. No mathematical model has been found in the literature that can be used to predict the efficiency of catalyst oxidation under microgravity conditions.

Guo, Boyun↗
DOE OSTI2023

Solar–Driven CO 2 Conversion via Optimized Photothermal Catalysis in a Lotus Pod Structure

Photothermal CO 2 reduction is one of the most promising routes to efficiently utilize solar energy for fuel production at high rates. However, this reaction is currently limited by underdeveloped catalysts with low photothermal conversion efficiency, insufficient exposure of active sites, low active material loading, and high material cost. Herein, we report a potassium-modified carbon-supported cobalt (K + –Co–C) catalyst mimicking the structure of a lotus pod that addresses these challenges. As a result of the designed lotus-pod structure which features an efficient photothermal C substrate with hierarchical pores, an intimate Co/C interface with covalent bonding, and exposed Co catalytic sites with optimized CO binding strength, the K + –Co–C catalyst shows a record-high photothermal CO 2 hydrogenation rate of 758 mmol gcat –1 h –1 (2871 mmol gCo –1 h –1 ) with a 99.8 % selectivity for CO, three orders of magnitude higher than typical photochemical CO 2 reduction reactions. Here, we further demonstrate with this catalyst effective CO 2 conversion under natural sunlight one hour before sunset during the winter season, putting forward an important step towards practical solar fuel production.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Efficient CO2 and Natural Gas Refinery for Ethylene Production - Catalyst Development for Oxidative Coupling of Methane (OCM)

We designed a new electro-catalyst for oxidative coupling of methane (OCM) reaction, the structure of the Sc doped La0.3Sr0.7TiO3-d (LaSrTi) Sc doping to LaSrTi leading to lattice expansion and more distorted lattice, Investigated the effect of doping on the oxygen vacancy formation energy DFT calculations shows that Sc doping facilitate oxygen vacancy formation. Quantifying the surface basicity of the sample before and after Sc doping Sc doped sample exhibits high surface basicity.

catalysis↗
DOE OSTI2022

Durable and Versatile Immobilized Carbonic Anhydrase on Textile Structured Packing for CO 2 Capture

High-performance carbon dioxide (CO 2 )-capture technologies with low environmental impact are necessary to combat the current climate change crisis. Durable and versatile “drop-in-ready” textile structured packings with covalently immobilized carbonic anhydrase (CA) were created as efficient, easy to handle catalysts for CO 2 absorption in benign solvents. The hydrophilic textile structure itself contributed high surface area and superior liquid transport properties to promote gas-liquid reactions that were further enhanced by the presence of CA, leading to excellent CO 2 absorption efficiencies in lab-scale tests. Mechanistic investigations revealed that CO 2 capture efficiency depended primarily on immobilized enzymes at or near the surface, whereas polymer entrapped enzymes were more protected from external stressors than those exposed at the surface, providing strategies to optimize performance and durability. Textile packing with covalently attached enzyme aggregates retained 100% of the initial 66.7% CO 2 capture efficiency over 71-day longevity testing and retained 85% of the initial capture efficiency after 1-year of ambient dry storage. Subsequent stable performance in a 500 h continuous liquid flow scrubber test emphasized the material robustness. Biocatalytic textile packings performed well with different desirable solvents and across wide CO 2 concentration ranges that are critical for CO 2 capture from coal and natural gas-fired power plants, from natural gas and biogas for fuel upgrading, and directly from air.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Time-Gated Raman Spectroscopy (Intern Final Report)

Time-gated Raman spectroscopy is a powerful tool for rapid non-destructive analysis of chemical compounds, particularly when combined with other investigative methods. Time-gating the signal obtained from a sample during Raman spectroscopy allows for the removal of background emission and black body radiation, improving clarity and accuracy of scans. The main objectives of this project were to prove the lab’s time-gated Raman spectroscopy system works as proof of concept and to make select improvements to the in-house LabVIEW software used to run the time-gated system. This time-gated system will be added to the CTK’s TAP reactors in the future, but this is out of the scope of this internship project. This research is important, as understanding the mechanisms behind catalysts leads to designing better systems/materials and the perfection of catalysts, and energy-efficient chemical manufacturing is key when designing a greener future. The research for this project was done with samples at both ambient conditions in sample holders and at operando conditions (i.e., high temperature, unsteady-state) inside a small-volume chemical reactor. Numerous spectro-kinetic scans of the catalysts were obtained, but the advanced dynamics of these systems are still being interpreted. There is data that demonstrates that the time-gated system is correctly rejecting emission from samples, and one can observe real-time changes in the signal from the sample, due to coking or changes induced by redox chemistry. Chemical manufacturers and the planet are the main beneficiaries of catalysis research, as better catalysts will reduce carbon emissions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis of Mg–K-biochar bimetallic catalyst and its evaluation of glucose isomerization

Highly efficient isomerization of glucose to fructose is essential for valorizing cellulose fraction of biomass to value-added chemicals. This work provided an innovative method for preparing Mg-biochar and Mg–K-biochar catalysts by impregnating either MgCl 2 alone or in combination with different K compounds (Ding et al. in Bioresour Technol 341:125835, 2021, https://doi.org/10.1016/j.biortech.2021.125835 and KHCO 3 ) on cellulose-derived biochar, followed by hydrothermal carbonization and pyrolysis. Single active substance MgO existing in the 10 Mg–C could give better catalytic effect on glucose isomerization than the synergy of MgO and KCl crystalline material present in 10 Mg–KCl–C. But the catalytic effect of 10 Mg–C was decreased when the basic site of MgO was overloaded. Compared to other carbon-based metal catalysts, 10 Mg–KHCO3–C with 10 wt% MgCl 2 loading had excellent catalytic performance, which gave a higher fructose yield (36.7%) and selectivity (74.54%), and catalyzed excellent glucose conversion (53.99%) at 100 °C in 30 min. Scanning electron microscope–energy dispersive spectrometer and X-Ray diffraction revealed that the distribution of Mg 2+ and K+ in 10 Mg–KHCO 3 –C was uniform and the catalytic active substances (MgO, KCl and K2CO 3 ) were more than 10 Mg–C (only MgO). The synergy effects of MgO and K 2 CO 3 active sites enhanced the pH of reaction system and induced H 2 O ionization to form considerable OH– ions, thus easily realizing a deprotonation of glucose and effectively catalyzing the isomerization of glucose. In this study, we developed a highly efficient Mg–K-biochar bimetallic catalyst for glucose isomerization and provided an efficient method for cellulose valorization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Balancing elementary steps enables coke-free dry reforming of methane

Balancing kinetics, a crucial priority in catalysis, is frequently achieved by sacrificing activity of elementary steps to suppress side reactions and enhance catalyst stability. Dry reforming of methane (DRM), a process operated at high temperature, usually involves fast C-H activation but sluggish carbon removal, resulting in coke deposition and catalyst deactivation. Studies focused solely on catalyst innovation are insufficient in addressing coke formation efficiently. Herein, we develop coke-free catalysts that balance kinetics of elementary steps for overall thermodynamics optimization. Beginning from a highly active cobalt aluminum oxide (CoAl 2 O 4 ) catalyst that is susceptible to severe coke formation, we substitute aluminum (Al) with gallium (Ga), reporting a CoAl 0.5 Ga 1.5 O 4 -R catalyst that performs DRM stably over 1000 hours without observable coke deposition. We find that Ga enhances DRM stability by suppressing C-H activation to balance carbon removal. A series of coke-free DRM catalysts are developed herein by partially substituting Al from CoAl 2 O 4 with other metals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stable Pentagonal Layered Palladium Diselenide Enables Rapid Electrosynthesis of Hydrogen Peroxide

Electrosynthesis of hydrogen peroxide (H 2 O 2 ) via the two-electron oxygen reduction reaction (2e – ORR) is promising for various practical applications, such as wastewater treatment. However, few electrocatalysts are active and selective for 2e – ORR yet are also resistant to catalyst leaching under realistic operating conditions. Here, a joint experimental and computational study reveals active and stable 2e – ORR catalysis in neutral media over layered PdSe 2 with a unique pentagonal puckered ring structure type. Computations predict active and selective 2e – ORR on the basal plane and edge of PdSe 2 , but with distinct kinetic behaviors. Further, electrochemical measurements of hydrothermally synthesized PdSe 2 nanoplates show a higher 2e – ORR activity than other Pd–Se compounds (Pd 4 Se and Pd 17 Se 15 ). PdSe 2 on a gas diffusion electrode can rapidly accumulate H 2 O 2 in buffered neutral solution under a high current density. The electrochemical stability of PdSe 2 is further confirmed by long device operational stability, elemental analysis of the catalyst and electrolyte, and synchrotron X-ray absorption spectroscopy. This work establishes a new efficient and stable 2e – ORR catalyst at practical current densities and opens catalyst designs utilizing the unique layered pentagonal structure motif.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Low-Cost, Durable and Retrofittable Methane Oxidation Catalysts (Abstract)

There is significant concern over the contributions of GHG emissions to global warming which has sparked intense focus on reducing GHG emissions in industrial processes. In response, this project aims to develop and demonstrate a methane oxidation catalyst that can be deployed on NG engines used in US O&G industry and will serve to significantly reduce the carbon footprint associated with those midstream operations. The catalyst will achieve 90% oxidation efficiency while operating at 450°C or less and at 50% less Pd versus existing catalyst technology. This technology would enable the realization of nearly 30% reduced GHG emissions from NG engines (versus diesel) that methane slip from these engines otherwise negates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Diagnostic methods for a high efficiency exhaust aftertreatment system

A method includes acquiring nitrogen oxide (NOx) data indicative of a first amount of NOx in an exhaust flow exiting an engine and a second amount of NOx in the exhaust flow exiting an exhaust aftertreatment system coupled to the engine where the exhaust aftertreatment system including a selective catalytic reduction (SCR) system including a SCR catalyst; determining a NOx conversion efficiency fault is present within the exhaust aftertreatment system based on the first amount of NOx and the second amount of NOx; monitoring an actual amount of NOx in the exhaust flow downstream of the SCR catalyst; determining an expected amount of NOx downstream of the SCR catalyst; and determining the SCR catalyst is responsible for the NOx conversion efficiency fault in response to the actual amount of NOx differing from the expected amount of NOx by more than a threshold amount.

Gupta, Aniket↗
NASA NTRS2015

Self-Cleaning Boudouard Reactor for Full Oxygen Recovery from CO2 Project

Oxygen recovery from respiratory CO2 is an important aspect of human spaceflight. Methods exist to sequester the CO2, but production of oxygen needs further development. The current ISS Carbon Dioxide Reduction System (CRS) uses the Sabatier reaction to produce water (and ultimately breathing air). Oxygen recovery is limited to 50% because half of the hydrogen used in the Sabatier reactor is lost as methane, which is vented overboard. The Bosch reaction is the only real alternative to the Sabatier reaction, but in the last reaction in the cycle (Boudouard) the resulting carbon buildup will eventually foul the nickel or iron catalyst, reducing reactor life and increasing consumables. To minimize this fouling, find a use for this waste product, and increase efficiency, we propose testing various self-cleaning catalyst designs in an existing MSFC Boudouard reaction test bed and to determine which one is the most reliable in conversion and lack of fouling. Challenges include mechanical reliability of the cleaning method and maintaining high conversion efficiency with lower catalyst surface area. The above chemical reactions are well understood, but planned implementations are novel (TRL 2) and haven't been investigated at any level.

Technology Portfolio System↗
DOE OSTI2022

Scalable Gas Diffusion Electrode Fabrication for Electrochemical CO 2 Reduction Using Physical Vapor Deposition Methods

Electrochemical CO 2 reduction (ECR) promises the replacement of fossil fuels as the source of feedstock chemicals and seasonal storage of renewable energy. While much progress has been made in catalyst development and electrochemical reactor design, few studies have addressed the effect of catalyst integration on device performance. Using a microfluidic gas diffusion electrolyzer, we systematically studied the effect of thickness and the morphology of electron beam (EB) and magnetron-sputtered (MS) Cu catalyst coatings on ECR performance. We observed that EB-Cu outperforms MS-Cu in current density, selectivity, and energy efficiency, with 400 nm thick catalyst coatings performing the best. Additionally, the superior performance of EB-Cu catalysts is assigned to their faceted surface morphology and sharper Cu/gas diffusion layer interface, which increases their hydrophobicity. Tests in a large-scale zero-gap electrolyzer yielded similar product selectivity distributions with an ethylene Faradaic efficiency of 39% at 200 mA/cm 2 , demonstrating the scalability for industrial ECR applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Double sulfur vacancies by lithium tuning enhance CO2 electroreduction to n-propanol

Electrochemical CO 2 reduction can produce valuable products with high energy densities but the process is plagued by poor selectivities and low yields. Propanol represents a challenging product to obtain due to the complicated C 3 forming mechanism that requires both stabilization of *C 2 intermediates and subsequent C 1 –C 2 coupling. Herein, density function theory calculations revealed that double sulfur vacancies formed on hexagonal copper sulfide can feature as efficient electrocatalytic centers for stabilizing both CO* and OCCO* dimer, and further CO–OCCO coupling to form C 3 species, which cannot be realized on CuS with single or no sulfur vacancies. The double sulfur vacancies were then experimentally synthesized by an electrochemical lithium tuning strategy, during which the density of sulfur vacancies was well-tuned by the charge/discharge cycle number. The double sulfur vacancy-rich CuS catalyst exhibited a Faradaic efficiency toward n-propanol of 15.4 ± 1% at -1.05 V versus reversible hydrogen electrode in H-cells, and a high partial current density of 9.9 mA cm -2 at -0.85 V in flow-cells, comparable to the best reported electrochemical CO 2 reduction toward n-propanol. Our work suggests an attractive approach to create anion vacancy pairs as catalytic centers for multi-carbon-products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Red-Light-Driven Biophotochemical Diode Based on a Microorganism–Silicon Nanowire Interface for Stable and Efficient Bias-Free CO 2 Reduction

Artificial photosynthesis offers a promising route for sustainable liquid fuel and feedstock production, yet integrating efficient CO 2 reduction catalysts with light-harvesting systems remains challenging. Here, in this study, we present a biophotochemical diode that couples microorganism-driven CO 2 reduction with glycerol oxidation, enabled by silicon nanowire photoelectrodes under varying red-light intensities. Tuning the biotic-abiotic interface─by increasing biocatalyst loading and adjusting the catholyte pH to mitigate local alkalization─significantly improves performance and stability. The enhanced-loading biocathode maintains a high faradaic efficiency across a wide potential range, even under elevated light intensities. At 60 mW/cm 2 , the system achieves a bias-free current density of 3.5 mA/cm 2 . Long-term stability testing at 40 mW/cm 2 demonstrates stable operation for over 100 h. The photoanode generates valuable C 3 products, primarily glycerate and lactate, enhancing the economic viability. This work showcases the importance of microenvironmental control at the biotic-abiotic interface and establishes a scalable platform for light-driven CO 2 reduction using earth-abundant silicon.

Artificial Photosynthesis↗
DOE OSTI2020

Acidic Oxygen Evolution Reaction Activity–Stability Relationships in Ru-Based Pyrochlores

Ru-based oxygen evolution reaction (OER) catalysts show significant promise for efficient water electrolysis, but rapid degradation poses a major challenge for commercial applications. In this work, we explore several Ru-based pyrochlores (A 2 Ru 2 O 7 , A = Y, Nd, Gd, Bi) as OER catalysts and demonstrate improved activity and stability of catalytic Ru sites relative to RuO 2 . Furthermore, we combine complementary experimental and theoretical analysis to understand how the A-site element impacts activity and stability under acidic OER conditions. Among the A 2 Ru 2 O 7 studied herein, we find that a longer Ru–O bond and a weaker interaction of the Ru 4d and O 2p orbitals compared with RuO 2 results in enhanced initial activity. We observe that the OER activity of the catalysts changes over time and is accompanied by both A-site and Ru dissolution at different relative rates depending on the identity of the A-site. Pourbaix diagrams constructed using density functional theory (DFT) calculations reveal a driving force for this experimentally observed dissolution, indicating that all compositions studied herein are thermodynamically unstable in acidic OER conditions. Theoretical activity predictions show consistent trends between A-site cation leaching and OER activity. These trends coupled with Bader charge analysis suggest that dissolution exposes highly oxidized Ru sites that exhibit enhanced activity. Overall, using the stability number (molO2 evolved/molRu dissolved) as a comparative metric, the A 2 Ru 2 O 7 materials studied in this work show substantially greater stability than a standard RuO2 and commensurate stability to some Ir mixed metal oxides. Finally, the insights described herein provide a pathway to enhanced Ru catalyst activity and durability, ultimately improving the efficiency of water electrolyzers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Adjusting the Criteria for Hydrogen Evolution by Single-Atom Catalysts

Downsizing noble metal catalysts is essential for improving atomic efficiency in sustainable energy applications. Typically, strategies focus on anchoring atomically scaled catalysts onto heteroatom-rich substrates, but these interactions can unintentionally alter the electronic structure of the catalyst, complicating the hydrogen evolution reaction (HER) mechanism. This study focuses on elucidating the interfacial mechanism of HER using structurally well-defined platinum single-atom (Pt SA) electrocatalysts. Unlike chemically reduced SAs, electrochemically deposited Pt SA catalysts do not rely on strong support interactions. As a result, these isolated Pt atoms can potentially achieve the theoretical maximum hydrogen production efficiency. This work introduces electrocatalysts composed solely of true SA sites, clarifying previous ambiguities surrounding the concept of SA electrocatalysis.

adsorption↗