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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

4-Electron Oxygen Reduction Reaction (ORR) with Iron Phthalocyanine (FePc) Functionalized Nanowire Templated-3D Fuzzy Graphene (NT-3DFG)

Iron phthalocyanine (FePc) is a promising alternative to platinum-based catalysts for sustainable energy devices; however, the plane-symmetry of Fe-N 4 sites, random aggregation, and poor conductivity of FePc present major barriers for their application as oxygen reduction reaction (ORR) electrocatalysts. Here, we report the synergistic effects of FePc electrocatalysts supported by a nanowire-templated three-dimensional fuzzy graphene (FePc@NT-3DFG) substrate. The in situ functionalized oxygen groups (iFOGs) at the edge of NT-3DFG localize Fe active sites in FePc under alkaline ORR conditions. With a uniform FePc distribution through many single layers of graphene, the NT-3DFG substrates improve O 2 adsorption and catalytic activity while stabilizing the electrochemical activity during reactions. The FePc@NT-3DFG catalyst exhibits fast ORR kinetics with an extremely low Tafel slope of 28.3 ± 2.7 mV dec −1 , a higher half-wave potential of 0.911 ± 0.004 V (vs RHE), and notable long-term stability at 0.5 V (vs RHE) of 96.0 ± 0.4% retention after 30 h. Surface chemistry spectra validate electronic configuration modification of Fe at the iFOGs. Density functional theory calculations indicate that the extra layers of graphene improve oxygen adsorption. Moreover, additional exploration of other transition metal phthalocyanines supports the effects of iFOGs through the transition toward 4e − ORR. This work offers an expanded strategy for active site modification through edge-based graphene substrates for 4e − ORR.

X-ray absorption spectroscopy↗
DOE OSTI2024

Hydrogen Peroxide‐Induced Overoxidation of Fe−N−C Catalysts: Implications for ORR Activity

Fe−N−C (iron-nitrogen-carbon) electrocatalysts have emerged as promising alternatives to precious metals for the oxygen reduction reaction (ORR), but they remain insufficiently stable for widespread adoption in fuel cell technologies. One plausible mechanism to explain this lack of stability, and the associated catalyst degradation, is oxidative attack on the catalyst surface by hydrogen peroxide, a non-selective byproduct of the ORR. In this work, we perform a detailed analysis of this degradation mechanism, using a combination of periodic Density Functional Theory (DFT) calculations and ab-initio molecular dynamics (AIMD) simulations to probe the thermodynamics and kinetics of hydrogen peroxide activation on a series of candidate active sites for the Fe−N−C catalyst. The results demonstrate that carbon atoms neighbouring FeN 4 active sites can be strongly over-oxidized via formation of hydroxyl or epoxy groups when hydrogen peroxide is present in the electrolyte. In most cases, the interaction between the over-oxidizing groups and the ORR reaction intermediates reduces the ORR activity, and we further propose that the over-oxidized sites are likely precursors to irreversible carbon corrosion and further catalyst deactivation.

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

Surface Manipulation on Pt 2.2 Ni(111) Nanocatalysts for Boosting Their ORR Performance in Alkaline Media

We have previously shown that Pt–Ni alloy nano-octahedra with {111} facets exhibit outstanding electrochemical performance in the oxygen reduction reaction (ORR) in acidic media when their surfaces are finely tailored at the atomic level. Here, in this investigation, we further refine the surface structure of Pt 2.2 Ni octahedral nanocatalysts to improve ORR performance in a 0.1 M KOH solution using diverse surface manipulation techniques. Through systematic analysis using electrochemical CO stripping, cyclic voltammetry, and X-ray photoelectron spectroscopy, we examined the surfaces of Pt 2.2 Ni octahedral nanocatalysts pretreated with various methods, including etching in acetic acid or perchloric acid, and subsequent electrochemical activation in an alkaline solution or an acidic solution. Among these treatments, those involving acidic media, particularly electrochemical cycling in acidic electrolytes, demonstrated significantly enhanced ORR activity in 0.1 M KOH. The latter exhibited a mass activity of 2.95 A/mg pt and a specific activity of 8.71 mA/cm 2 at 0.90 V, surpassing state-of-the-art Pt/C by 12-fold and 34-fold, respectively. Furthermore, this identified nanocatalyst displayed robust stability, with negligible activity decay observed after 10,000 cycles. This study suggests that the improved ORR activity can be attributed to the Pt-rich surfaces with well-preserved {111} lattices on the surface-modified Pt–Ni nano-octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Atomically Dispersed Zn/Co–N–C as ORR Electrocatalysts for Alkaline Fuel Cells

Hydrogen fuel cells have drawn increasing attention as one of the most promising next-generation power sources for future automotive transportation. Developing efficient, durable, and low-cost electrocatalysts, to accelerate the sluggish oxygen reduction reaction (ORR) kinetics, is urgently needed to advance fuel cell technologies. Herein, we report on metal–organic frameworks-derived nonprecious dual metal single-atom catalysts (SACs) (Zn/Co–N–C), consisting of Co–N 4 and Zn–N 4 local structures. These catalysts exhibited superior ORR activity with a half-wave potential (E 1/2 ) of 0.938 V versus RHE (reversible hydrogen electrode) and robust stability (ΔE 1/2 = –8.5 mV) after 50k electrochemical cycles. Moreover, this remarkable performance was validated under realistic fuel cell working conditions, achieving a record-high peak power density of ~1 W cm –2 among the reported SACs for alkaline fuel cells. Operando X-ray absorption spectroscopy was conducted to identify the active sites and reveal catalytic mechanistic insights. The results indicated that the Co atom in the Co–N 4 structure was the main catalytically active center, where one axial oxygenated species binds to form an O ads –Co–N 4 moiety during the ORR. In addition, theoretical studies, based on a potential-dependent microkinetic model and core-level shift calculations, showed good agreement with the experimental results and provided insights into the bonding of oxygen species on Co–N 4 centers during the ORR. Furthermore, this work provides a comprehensive mechanistic understanding of the active sites in the Zn/Co–N–C catalysts and will pave the way for the future design and advancement of high-performance single-site electrocatalysts for fuel cells and other energy applications.

25 ENERGY STORAGE↗
DOE OSTI2026

Bat Acoustic Survey Data Collected June 2024 in and near Self Sufficiency Parcel-2 (SSP2) on the Oak Ridge Reservation (ORR)

The US Department of Energy (DOE) Oak Ridge Reservation (ORR) is located in Anderson and Roane Counties, Tennessee. A portion of the ORR, known as Self-Sufficiency Parcel 2 (SSP2) is planned for transfer for private use. The SSP2 Site is approximately 670 acres (Figure 1-1), although the current plan is to only clear and develop a portion of this acreage. Any inquiries about the land transfer and future development should be directed to DOE Oak Ridge Environmental Management, as this is beyond the scope of the Natural Resources Management Team (NRMT). NRMT records bat data for the entire ORR, including acoustic monitoring, mist netting and cave surveys. A few surveys have previously been conducted for small land transfers adjacent to SSP2 (See Appendix A), but not for the entire SSP2 area. Since bats have a large range, it was decided that collecting data while SSP2 was still accessible would be beneficial for the NRMT dataset. Acoustic data was therefore collected within and near SSP2 during the summer of 2024. This write-up is not a Biological Assessment (BA). However, the data and information provided can be used during the creation of a BA and consultations with US Fish and Wildlife Service (USFWS) in order to comply with federal directives of the Endangered Species Act of 1973 (16 U. S. C. 153 et seq.). The SSP2 site was surveyed during summer roosting/maternity season of 2024 using ultrasonic acoustic monitors to record calls from all bat species whose home ranges include the ORR. Special note was taken for presence of Federally listed Endangered and Threatened (T&E) bat species, as well as bat species which are Proposed for Federal listing, Candidate for federal listing, and state listed. Summer roosting season, from May 15 to August 15, is crucial to forest-dwelling T&E bat species for rearing young and foraging. Results of these surveys indicate the presence of three Federally listed bat species: Gray bat (Myotis grisescens--Endangered), Indiana bat (Myotis sodalis--Endangered), and Northern long-eared bat (Myotis septentrionalis--Endangered). Two additional bat species were present on the SSP2 Site: Tricolored bat (Perimyotis subflavus--Proposed for Federal listing) and Little brown bat (Myotis lucifugus—Candidate for Federal listing).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Silica–Derived Nanostructured Electrode Materials for ORR, OER, HER, CO 2 RR Electrocatalysis, and Energy Storage Applications: A Review**

Silica-derived nanostructured catalysts (SDNCs) are a class of materials synthesized using nanocasting and templating techniques, which involve the sacrificial removal of a silica template to generate highly porous nanostructured materials. The surface of these nanostructures is functionalized with a variety of electrocatalytically active metal and non-metal atoms. SDNCs have attracted considerable attention due to their unique physicochemical properties, tunable electronic configuration, and microstructure. These properties make them highly efficient catalysts and promising electrode materials for next generation electrocatalysis, energy conversion, and energy storage technologies. The continued development of SDNCs is likely to lead to new and improved electrocatalysts and electrode materials. This review article provides a comprehensive overview of the recent advances in the development of SDNCs for electrocatalysis and energy storage applications. It analyzes 337,061 research articles published in the Web of Science (WoS) database up to December 2022 using the keywords “silica”, “electrocatalysts”, “ORR”, “OER”, “HER”, “HOR”, “CO 2 RR”, “batteries”, and “supercapacitors”. The review discusses the application of SDNCs for oxygen reduction reaction (ORR), oxygen evolution reaction (OER), hydrogen evolution reaction (HER), carbon dioxide reduction reaction (CO 2 RR), supercapacitors, lithium-ion batteries, and thermal energy storage applications. It concludes by discussing the advantages and limitations of SDNCs for energy applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Understanding the Electronic and Structural Effects in ORR Intermediate Binding on Anion‐Substituted Zirconia Surfaces

Abstract For oxygen reduction reaction (ORR), the surface adsorption energies of O and OH* intermediates are key descriptors for catalytic activity. In this work, we investigate anion‐substituted zirconia catalyst surfaces and determine that adsorption energies of O and OH* intermediates is governed by both structural and electronic effects. When the adsorption energies are not influenced by the structural effects of the catalyst surface, they exhibit a linear correlation with integrated crystal orbital Hamiltonian population (ICOHP) of the adsorbate‐surface bond. The influence of structural effects, due to the re‐optimisation slab geometry after adsorption of intermediate species, leads to stronger adsorption of intermediates. Our calculations show that there is a change in the bond order to accommodate the incoming adsorbate species which leads to stronger adsorption when both structural and electronic effects influence the adsorption phenomena. The insights into the catalyst‐adsorbate interactions can guide the design of future ORR catalysts.

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

Performance and Durability of Heavy-Duty Fuel Cell Systems with an Advanced Ordered Intermetallic ORR Alloy Catalyst and Novel Support

Ordered PtCo intermetallic (OIM) catalyst (L1 0 -PtCo/C) is a promising candidate as the oxygen reduction reaction (ORR) catalyst in hybrid fuel cell systems (FCS) for class-8 heavy duty (HD) trucks. Compared to a baseline annealed Pt on high surface area carbon (a-Pt/HSC) catalyst, its mass activity (MA) is 71% higher initially and 144% higher after 90,000 potential cycles in an accelerated stress test (AST). Analysis of the AST data indicates that the ORR kinetic constants do not change with aging and the degradation in the OIM catalyst activity is linearly proportional to the loss in the electrochemically active surface area (ECSA). Several operational strategies are investigated to mitigate catalyst degradation and achieve 25,000-h electrode lifetime and 2.5 kW g −1 Pt utilization on a HD truck duty cycle including load sharing with the hybrid battery, regulating the radiator fan power to maintain the coolant temperature close to 60 °C, clipping the maximum cell voltage below 850 mV, limiting the ECSA loss to 55%, and oversizing the active area of the membrane electrode assemblies by 20%. Drive cycle simulations indicate that the lifetime average voltage degradation rate is about 1.8 μV h −1 and the integrated stack and FCS drive cycle efficiencies decrease by 3.5 to 3.9%.

25 ENERGY STORAGE↗
NASA NTRS1983

Higher modes of the Orr-Sommerfeld problem for boundary layer flows

The discrete spectrum of the Orr-Sommerfeld problem of hydrodynamic stability for boundary layer flows in semi-infinite regions is examined. Related questions concerning the continuous spectrum are also addressed. Emphasis is placed on the stability problem for the Blasius boundary layer profile. A general theoretical result is given which proves that the discrete spectrum of the Orr-Sommerfeld problem for boundary layer profiles (U(y), 0,0) has only a finite number of discrete modes when U(y) has derivatives of all orders. Details are given of a highly accurate numerical technique based on collocation with splines for the calculation of stability characteristics. The technique includes replacement of 'outer' boundary conditions by asymptotic forms based on the proper large parameter in the stability problem. Implementation of the asymptotic boundary conditions is such that there is no need to make apriori distinctions between subcases of the discrete spectrum or between the discrete and continuous spectrums. Typical calculations for the usual Blasius problem are presented.

Lakin, W. D.↗
NASA NTRS1993

On the cross-stream spectral method for the Orr-Sommerfeld equation

Cross-stream models are defined as solutions to the Orr-Sommerfeld equation which are propagating normal to the flow direction. These models are utilized as a basis for a Hilbert space to approximate the spectrum of the Orr-Sommerfeld equation with plane Poiseuille flow. The cross-stream basis leads to a standard eigenvalue problem for the frequencies of Poiseuille flow instability waves. The coefficient matrix in the eigenvalue problem is shown to be the sum of a real matrix and a negative-imaginary diagonal matrix which represents the frequencies of the cross-stream modes. The real coefficient matrix is shown to approach a Toeplitz matrix when the row and column indices are large. The Toeplitz matrix is diagonally dominant, and the diagonal elements vary inversely in magnitude with diagonal position. The Poiseuille flow eigenvalues are shown to lie within Gersgorin disks with radii bounded by the product of the average flow speed and the axial wavenumber. It is shown that the eigenvalues approach the Gersgorin disk centers when the mode index is large, so that the method may be used to compute spectra with an essentially unlimited number of elements. When the mode index is large, the real part of the eigenvalue is the product of the axial wavenumber and the average flow speed, and the imaginary part of the eigen value is identical to the corresponding cross-stream mode frequency. The cross-stream method is numerically well-conditioned in comparison to Chebyshev based methods, providing equivalent accuracy for small mode indices and superior accuracy for large indices.

Zorumski, William E.↗
NASA NTRS1976

The eigenvalue spectrum of the Orr-Sommerfeld problem

A numerical investigation of the temporal eigenvalue spectrum of the ORR-Sommerfeld equation is presented. Two flow profiles are studied, the plane Poiseuille flow profile and the Blasius boundary layer (parallel): flow profile. In both cases a portion of the complex c-plane bounded by 0 less than or equal to CR sub r 1 and -1 less than or equal to ci sub i 0 is searched and the eigenvalues within it are identified. The spectra for the plane Poiseuille flow at alpha = 1.0 and R = 100, 1000, 6000, and 10000 are determined and compared with existing results where possible. The spectrum for the Blasius boundary layer flow at alpha = 0.308 and R = 998 was found to be infinite and discrete. Other spectra for the Blasius boundary layer at various Reynolds numbers seem to confirm this result. The eigenmodes belonging to these spectra were located and discussed.

Antar, B. N.↗
NASA NTRS1987

Uniformly-valid asymptotic solutions to the Orr-Sommerfeld equation using multiple scales

The Orr-Sommerfeld equation is studied using the method of multiple scales. The leading-order uniformly-valid asymptotic solutions are obtained without recourse to heuristic methods for two different types of velocity profiles. Solutions were obtained for arbitrary velocity profiles without inflection or critical points and for profiles with simultaneous inflection and critical points. These are shown to reproduce previously obtained solutions in the inner and outer regions.

Long, Lyle N.↗
NASA NTRS1989

A Chebyshev matrix method for spatial modes of the Orr-Sommerfeld equation

The Chebyshev matrix collocation method is applied to obtain the spatial modes of the Orr-Sommerfeld equation for Poiseuille flow and the Blausius boundary layer. The problem is linearized by the companion matrix technique for semi-infinite domain using a mapping transformation. The method can be easily adapted to problems with different boundary conditions requiring different transformations.

Danabasoglu, G.↗
NASA NTRS1991

Orr-Sherby-Dorn creep strengths of the refractory-metal alloys C-103, ASTAR-811C, W-5Re, and W-25Re

Available creep data for the refractory-metal alloys C-103 (Nb/10 percent Hf/1 percent Ti/0.7 percent Zr), ASTAR-811C (Ta/8 percent W/1 percent Re/0.7 percent Hf/0.025 percent C), W-5Re (W/5 percent Re), and W-25Re (W/25 percent Re) were correlated by the Orr-Sherby-Dorn method and extrapolated to 1 percent creep over 10 years. Useful life was specified to be 2 standard estimates of error below the mean surface through the data. Over the temperature range of 1200 to 1800 K, ASTAR-811C was found to be the strongest of these alloys. In particular, ASTAR-811C was found to have at 1800 K the same creep strength as W-25Re at 1420 K. The difference between these results and those of Horak and Booker likely devolves from the comparative lack of long-time data on tungsten alloys.

English, Robert E.↗
NASA NTRS1990

A Chebyshev matrix method for the spatial modes of the Orr-Sommerfeld equation

The Chebyshev matrix collocation method is applied to obtain the spatial modes of the Orr-Sommerfeld equation for Poiseuille flow and the Blasius boundary layer. The problems is linearized by the companion matrix technique for semiinfinite domain using a mapping transformation. The method can be easily adapted to problems with different boundary conditions requiring different transformations.

Danabasoglu, Gokhan↗