Search NASA⌕ Search

SEARCH · Search NASA

Results for “catalyst efficiency”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts

Catalysis enables many aspects of modern life, including fuels, products, plastics, and medicines. Recent advances in catalysis have enabled us to realize higher efficiencies and new processes. Ideally, we seek to achieve high rates of selective conversions using catalysts derived from abundantly available elements and operating under mild conditions, specifically lower reaction temperatures and pressures. Such catalysts could enable decentralized, on-demand synthesis of chemicals and energy carriers. Nature has demonstrated the feasibility of this approach with enzymes, which showcase catalytic processes at low temperatures and pressures with nonprecious metals. Current thinking holds that in addition to the active site, the complexity of the enzyme structure, specifically the protein scaffold, is also critical to achieving this performance. Recreating this environment has been a long-standing scientific goal. However, we still understand the functions of enzymes better than we understand the de novo design of catalysts that mimic enzymes features, while also retaining their activity and selectivity under more demanding conditions. Here, in this Perspective, we will critically examine four key areas of catalyst design that incorporate the chemical and structural properties of enzymes into synthetic catalysts: (i) the use of confinement to enhance catalytic activity, (ii) tailoring the environment around the active site, (iii) proton transport, and (iv) bifunctionality and cooperativity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Catalysts synthesized by selective deposition of Fe onto Pt for the water-gas shift reaction

FePt bimetallic catalysts with intimate contact between the two metals were synthesized by controlled surface reactions (CSR) of (cyclohexadiene)iron tricarbonyl with hydrogen-treated supported Pt nanoparticles. Adsorption of the iron precursor on a Pt/SiO2 catalyst was studied, showing that the Fe loading could be increased by performing multiple CSR cycles, and the efficiency of this process was linked to the renewal of adsorption sites by a reducing pretreatment. The catalytic activity of these bimetallic catalysts for the water gas shift reaction was improved due to promotion by iron, likely linked to H2O activation on FeOx species at or near the Pt surface, mostly in the (II) oxidation state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The synergistic effect in the Fe-Co bimetallic catalyst system for the growth of carbon nanotube forests

We report the growth of multi-walled carbon nanotube forests employing an active-active bimetallic Fe-Co catalyst. Using this catalyst system, we observe a synergistic effect by which—in comparison to pure Fe or Co—the height of the forests increases significantly. The homogeneity in the as-grown nanotubes is also improved. By both energy dispersive spectroscopy and in-situ x-ray photoelectron spectroscopy, we show that the catalyst particles consist of Fe and Co, and this dramatically increases the growth rate of the tubes. Bimetallic catalysts are thus potentially useful for synthesising nanotube forests more efficiently.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Sn doping on partially dealuminated Beta zeolite by solid state ion exchange for 5‐hydroxymethylfurfural ( 5‐HMF ) production from glucose

Abstract BACKGROUND The conversion of glucose into 5‐hydroxymethylfurfural (5‐HMF) involves the isomerization of glucose to fructose catalyzed by Lewis acid and subsequent dehydration of fructose catalyzed by Brönsted acid. In this work, in order to obtain a high yield of 5‐HMF, a series of Sn‐Al‐Beta catalysts containing both Lewis and Brönsted acid sites were prepared by a convenient solid state ion exchange (SSIE) method using partially dealuminated Beta zeolite and tin(II) acetate. RESULTS The obtained bifunctional catalysts were investigated for one‐pot production of 5‐HMF from glucose in the ionic liquid (IL) [C 4 mim]Cl. Among various catalysts, Sn‐Al‐Beta‐ 4 ‐ 8 exhibited the best catalytic performance, giving a 5‐HMF yield of 54% under optimal reaction conditions (393 K, 2 h), along with a glucose conversion of 81%. The Sn‐Al‐Beta‐ 4‐8 catalyst and IL were regenerated by the extraction of 5‐HMF, and the reactivity was reserved after five runs of recycling. In addition to glucose, the Sn‐Al‐Beta‐ 4‐8 /[C 4 mim]Cl system was also proven to have the potential to effectively convert other carbohydrates into 5‐HMF. CONCLUSION The results suggested that the catalyst is convenient to prepare and has preferable efficiency and stability in the conversion of carbohydrates into 5‐HMF. © 2022 Society of Chemical Industry (SCI).

Zhang, Wei↗
DOE OSTI2024

Electrochemical CO 2 Conversion Commercialization Pathways: A Concise Review on Experimental Frontiers and Technoeconomic Analysis

Technoeconomic analysis (TEA) studies are vital for formulating guidelines that drive the commercialization of electrochemical CO 2 reduction (eCO 2 R) technologies. In this review, we first discuss the progress in the field of eCO 2 R processes by providing current state-of-the-art metrices (e.g., faradic efficiency, current density) based on the recent heterogeneous catalysts’ discovery, electrolytes, electrolyzers configuration, and electrolysis process designs. Next, we assessed the TEA studies for a wide range of eCO 2 R final products, different modes of eCO 2 R systems/processes, and discussed their relative competitiveness with relevant commercial products. Finally, we discuss challenges and future directions essential for eCO 2 R commercialization by linking suggestions from TEA studies. We believe that this review will catalyze innovation in formulating advanced eCO 2 R strategies to meet the TEA benchmarks for the conversion of CO 2 into valuable chemicals at the industrial scale.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Scalable Frontal Oligomerization: Insights from Advanced Mass Analysis

Linear oligomers of dicyclopentadiene (DCPD) are reactive precursors for thermoplastic and thermoset materials. Unlike the foul-smelling parent monomer, oligomers composed of DCPD are odorless. With appropriate modification of the end-group or backbone chemistry, telechelic DCPD oligomers have potential utility as cross-linkers and as macromonomer precursors for block and graft copolymers. Most existing methods to produce oligo-DCPD, however, require solvent, are relatively slow, and necessitate air-free techniques. Here we show that frontal ring-opening metathesis oligomerization (FROMO) of neat DCPD and other norbornene derivatives rapidly generates hundreds of grams of material in minutes with catalyst loadings of 0.5 mM. This energy-efficient catalytic process utilizes the heat generated by the reaction to self-propagate oligomerization throughout the liquid monomer. FROMO employs a terminal olefin (e.g., styrene) in which a cross-metathesis reaction (i.e., chain transfer) competes with ring-opening metathesis (i.e., propagation). Kendrick mass analysis enables rapid identification and assignment of all the chain-end types present and quantifies the degree of branching resulting from the infrequent cyclopentene ring-opening reaction. This analytical technique also detects oligomer species derived from trace impurities in the monomer or chain-transfer agent that are otherwise difficult to observe with other characterization methods. Here, the obtained oligomers possess well-defined chain-ends and molecular weight distributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

2,2′-Dipyridylamine as Heterogeneous Organic Molecular Electrocatalyst for Two-Electron Oxygen Reduction Reaction in Acid Media

Continuous production of hydrogen peroxide (H 2 O 2 ) through the two-electron oxygen reduction reaction (2e-ORR) in distributed electrochemical cells offers important advantages for point-of-use water treatment and pulp bleaching over the complex industrial anthraquinone process. A low-cost, heterogeneous 2e-ORR electrocatalyst with high activity and selectivity is key to meeting the future needs for distributed production of H 2 O 2 with large capacity. Herein, we demonstrate high activity and selectivity of a heterogeneous organic molecular electrocatalyst, 2,2’-dipyridylamine, with an H 2 O 2 yield of ca. 80%, and an onset potential of ca. 0.60 V vs. RHE in acidic aqueous electrolyte. We show that this acid-compatible, inexpensive, small organic molecule can catalyze 2e-ORR as efficiently as the state-of-the-art catalysts based on mercury-precious metal alloys. We propose different mechanisms of dioxygen electroreduction based on density functional theory calculations, which correlate activity with calculated standard reduction potential of reaction intermediates.

2↗
DOE OSTI2026

Incorporation of Ion Transport Chains into Multivariate MOF for Improved Water Oxidation

The climate crisis demands clean energy technologies to cut CO 2 emissions from fossil fuels. Hydrogen fuel cells and solar-driven CO 2 reduction are promising, but both rely on efficient water oxidation. Polypyridyl ruthenium complexes are active catalysts for water oxidation; however, they exhibit poor stability and recyclability. Our group improved performance by embedding these complexes into metal−organic frameworks (MOFs). As water oxidation is pH-dependent, proton management further enhances reactivity. To address the issue, we introduced proton transfer pathways into the MOF structure. Specifically, we incorporated −SO 3 H groups onto the biphenyl linkers of UiO-67 loaded with [Ru(tpy)(dcbpy)OH 2 ]PF 6 catalyst (where tpy = 2,2′:6′,2″-terpyridine; dcbpy = 5,5-dicarboxy-2,2′- bipyridine). The sulfonated MOF exhibited a 2.5-fold increase in oxygen evolution compared to the nonsulfonated analogue. After 1 h of electrolysis, the sulfonated MOF exhibited a turnover number of 25 for oxygen evolution reaction compared to 10 for the native MOF, demonstrating the benefits of built-in proton management.

Catalysts↗
DOE OSTI2025

Polyethylene Upcycling to Liquid Alkanes in Molten Salts under Neat and External Hydrogen Source-Free Conditions

Development of facile approaches to convert plastic waste into liquid fuels under neat conditions is highly desired but challenging, particularly without noble metal catalysts and an external hydrogen source. Herein, highly efficient and selective polyethylene-to-gasoline oil (branched C 6 –C 12 alkanes) conversion was achieved under mild conditions (<170 °C) using commercially available AlCl 3 -containing molten salts as reaction media and to provide catalytic sites (no extra solvents, additives, or hydrogen feeding). The high catalytic efficiency and selectivity was ensured by the abundant active Al sites with strong Lewis acidity (comparable to the Al type in acidic zeolite) and highly ionic nature of the molten salts to stabilize the carbenium intermediates. Dynamic genesis of the Al sites was elucidated via time-resolved Al K-edge soft X-ray and 27 Al NMR, confirming the tricoordinated Al 3+ as active sites and its coordination with the as-generated alkene/aromatic intermediates. Further, the carbenium formation and polyethylene chain variation was illustrated by inelastic neutron scattering (INS) and an isotope-labeling experiment. Theoretical simulations further demonstrated the successive hydride abstraction, β-scission, isomerization, and internal hydrogen transfer reaction pathway with AlCl 3 as active sites. This facile catalytic system can further achieve the conversion of robust, densely assembled, and high molecular weight plastic model compounds to liquid alkane products in the diesel range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Identifying the missing link in catalyst transfer polymerization

Nickel-catalyzed catalyst transfer polycondensation (CTP) of thiophenes is an efficient strategy for the controlled synthesis of polythiophenes. However, a detailed view of its reaction mechanism has remained elusive with unresolved questions regarding the geometry and bonding of critical Ni(0) thiophene intermediates. Herein, we provide experimental and computational evidence of structurally characterized square planar η 2 -Ni(0)–thiophene species and their relevance to the mechanism of CTP. These results confirm the viability of C,C-η 2 bound intermediates in CTP of thiophenes, providing an electronic rationale for the stability of such species, and thus that such processes can proceed as living polymerizations. We further show that C,S-κ 2 species may also be relevant in nickel-catalyzed CTP of thiophenes, providing new avenues for exploitation and optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Silica-copper catalyst interfaces enable carbon-carbon coupling towards ethylene electrosynthesis

Membrane electrode assembly (MEA) electrolyzers offer a means to scale up CO 2 -to-ethylene electroconversion using renewable electricity and close the anthropogenic carbon cycle. To date, excessive CO 2 coverage at the catalyst surface with limited active sites in MEA systems interferes with the carbon-carbon coupling reaction, diminishing ethylene production. With the aid of density functional theory calculations and spectroscopic analysis, here we report an oxide modulation strategy in which we introduce silica on Cu to create active Cu-SiO x interface sites, decreasing the formation energies of OCOH* and OCCOH*—key intermediates along the pathway to ethylene formation. We then synthesize the Cu-SiO x catalysts using one-pot coprecipitation and integrate the catalyst in a MEA electrolyzer. By tuning the CO 2 concentration, the Cu-SiO x catalyst based MEA electrolyzer shows high ethylene Faradaic efficiencies of up to 65% at high ethylene current densities of up to 215 mA cm -2 ; and features sustained operation over 50 h.

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

Insights into the mechanisms of NH3 inhibition on Cu-CHA SCR catalysts

This work elucidates the atomic-scale mechanism behind ammonia (NH3) inhibition during the selective catalytic reduction (SCR) of NO? on Cu-CHA catalysts, a key issue limiting low-temperature emission control. Using SCR kinetic analysis, operando electron paramagnetic resonance (EPR) spectroscopy, and density functional theory (DFT), we demonstrate that NH3 inhibition primarily slows the oxidation half-cycle (OHC), while the reduction half-cycle (RHC) remains unaffected. DFT simulations reveal that excess NH3 substantially increases the diffusion barrier for CuI ions, hindering formation of essential CuII-oxo dimer intermediates and thus suppressing OHC kinetics. Operando EPR studies confirm that this inhibition strongly depends on operating temperature and catalyst Cu loading. Our findings highlight strategies to counteract NH3 inhibition, including optimizing Cu loading, precisely managing NH3:NO feed ratios, and enhancing CuI ion mobility through tailored catalyst design and operational adjustments, thereby advancing the efficiency of emission control technologies in automotive applications.

Deka, Dhruba Jyoti↗
DOE OSTI2013

Field Performance of Heat Pump Water Heaters in the Northeast

Heat pump water heaters (HPWHs) are finally entering the mainstream residential water heater market. Potential catalysts are increased consumer demand for higher energy efficiency electric water heating and a new Federal water heating standard that effectively mandates use of HPWHs for electric storage water heaters with nominal capacities greater than 55 gallons. When compared to electric resistance water heating, the energy and cost savings potential of HPWHs is tremendous. Converting all electric resistance water heaters to HPWHs could save American consumers 7.8 billion dollars annually ($\$$182 per household) in water heating operating costs and cut annual residential source energy consumption for water heating by 0.70 quads. Steven Winter Associates, Inc. embarked on one of the first in situ studies of these newly released HPWH products through a partnership with two sponsoring electric utility companies, National Grid and NSTAR, and one sponsoring energy efficiency service program administrator, Cape Light Compact. Recent laboratory studies have measured performance of HPWHs under various operating conditions, but publicly available field studies have not been as available. This evaluation attempts to provide publicly available field data on new HPWHs by monitoring the performance of three recently released products (General Electric GeoSpring(tm), A.O. Smith Voltex(r), and Stiebel Eltron Accelera(r)300). Fourteen HPWHs were installed in Massachusetts and Rhode Island and monitored for over a year. Of the 14 units, ten were General Electric models (50 gallon units), two were Stiebel Eltron models (80 gallon units), and two were A.O. Smith models (one 60-gallon and one 80-gallon unit).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Field Performance of Heat Pump Water Heaters in the Northeast, Massachusetts and Rhode Island (Fact Sheet)

Heat pump water heaters (HPWHs) are finally entering the mainstream residential water heater market. Potential catalysts are increased consumer demand for higher energy efficiency electric water heating and a new Federal water heating standard that effectively mandates use of HPWHs for electric storage water heaters with nominal capacities greater than 55 gallons. When compared to electric resistance water heating, the energy and cost savings potential of HPWHs is tremendous. Converting all electric resistance water heaters to HPWHs could save American consumers 7.8 billion dollars annually ($182 per household) in water heating operating costs and cut annual residential source energy consumption for water heating by 0.70 quads. Steven Winter Associates, Inc. embarked on one of the first in situ studies of these newly released HPWH products through a partnership with two sponsoring electric utility companies, National Grid and NSTAR, and one sponsoring energy efficiency service program administrator, Cape Light Compact. Recent laboratory studies have measured performance of HPWHs under various operating conditions, but publicly available field studies have not been as available. This evaluation attempts to provide publicly available field data on new HPWHs by monitoring the performance of three recently released products (General Electric GeoSpring, A.O. Smith Voltex, and Stiebel Eltron Accelera 300). Fourteen HPWHs were installed in Massachusetts and Rhode Island and monitored for over a year. Of the 14 units, ten were General Electric models (50 gallon units), two were Stiebel Eltron models (80 gallon units), and two were A.O. Smith models (one 60-gallon and one 80-gallon unit).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Field Performance of Heat Pump Water Heaters in the Northeast

Heat pump water heaters (HPWHs) are finally entering the mainstream residential water heater market. Potential catalysts are increased consumer demand for higher energy efficiency electric water heating and a new Federal water heating standard that effectively mandates use of HPWHs for electric storage water heaters with nominal capacities greater than 55 gallons. When compared to electric resistance water heating, the energy and cost savings potential of HPWHs is tremendous. Converting all electric resistance water heaters to HPWHs could save American consumers 7.8 billion dollars annually ($182 per household) in water heating operating costs and cut annual residential source energy consumption for water heating by 0.70 quads. Steven Winter Associates, Inc. embarked on one of the first in situ studies of these newly released HPWH products through a partnership with two sponsoring electric utility companies, National Grid and NSTAR, and one sponsoring energy efficiency service program administrator, Cape Light Compact. Recent laboratory studies have measured performance of HPWHs under various operating conditions, but publically available field studies have not been as available. This evaluation attempts to provide publicly available field data on new HPWHs by monitoring the performance of three recently released products (General Electric GeoSpring(TM), A.O. Smith Voltex(R), and Stiebel Eltron Accelera(R) 300). Fourteen HPWHs were installed in Massachusetts and Rhode Island and monitored for over a year. Of the 14 units, ten were General Electric models (50 gallon units), two were Stiebel Eltron models (80 gallon units), and two were A.O. Smith models (one 60-gallon and one 80-gallon unit).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Field Performance of Heat Pump Water Heaters in the Northeast

Heat pump water heaters (HPWHs) are finally entering the mainstream residential water heater market. Potential catalysts are increased consumer demand for higher energy efficiency electric water heating and a new Federal water heating standard that effectively mandates use of HPWHs for electric storage water heaters with nominal capacities greater than 55 gallons. When compared to electric resistance water heating, the energy and cost savings potential of HPWHs is tremendous. Converting all electric resistance water heaters to HPWHs could save American consumers 7.8 billion dollars annually ($182 per household) in water heating operating costs and cut annual residential source energy consumption for water heating by 0.70 quads.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

EFRC Accomplishments: Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC)

The vision of IMASC is to advance the fundamental science necessary to alter fundamental aspects of the chemical industries sector and its carbon footprint. The IMASC mission is to develop design principles for increasing the efficiency of key chemical syntheses using dilute alloy catalysts by quantitatively scaling from model studies to catalytic operation using advanced experiment and theory. One of the major challenges in catalysis is predicting catalytic behavior—especially selectivity. The IMASC team developed a methodology for obtaining critical information for selected catalytic processes using dilute alloy catalysts, that is widely applicable to modeling catalytic processes.

36 MATERIALS SCIENCE↗