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At least 289 records · Page 16

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NASA NTRS1988

The 1988 overview of free-piston Stirling technology for space power at the NASA Lewis Research Center

The completion of the Space Power Demonstrator Engine (SPDE) testing is discussed, terminating with the generation of 25 kW of engine power from a dynamically-balanced opposed-piston Stirling engine at a temperature ratio of 2.0. Engine efficiency was greater than 22 percent. The SPDE recently was divided into 2 separate single cylinder engines, Space Power Research Engine (SPRE), that serves as test beds for the evaluation of key technology disciplines, which include hydrodynamic gas bearings, high efficiency linear alternators, space qualified heat pipe heat exchangers, oscillating flow code validation, and engine loss understanding. The success of the SPDE at 650 K has resulted in a more ambitious Stirling endeavor, the design, fabrication, test, and evaluation of a designed-for-space 25 kW per cylinder Stirling Space Engine (SSE) to operate at a hot metal temperature of 1050 K using superalloy materials. This design is a low temperature confirmation of the 1300 K design. It is the 1300 K free-piston Stirling power conversion system that is the ultimate goal. The first two phases of this program, the 650 K SPDE and the 1050 K SSE are emphasized.

Slaby, Jack G.↗

NASA NTRSDate not supplied

A generalizable machine learning approach to predict land surface temperature

Monitoring of land surface and atmospheric states is highly reliant on satellite data. Traditionally, data products are generated using carefully tuned and validated algorithms for low-earth orbit (LEO) sensors. However, the emerging constellation of geostationary (GEO) sensors contributes global, high temporal resolution observations which can better capture the diurnal variability of key observables like land surface temperature (LST). Using high performance computing and datasets from the NASA Earth Exchange, we exploit co-located, co-temporal observations from LEO and GEO satellites to develop a deep learning-based method for sensor-to-sensor algorithm emulation. Our model is trained on GOES-16 thermal bands to predict MODIS Terra LST and achieves a validation error <2K. Further, application of the model to unseen times of day and a second GEO sensor observing an unseen spatial domain demonstrate the generalization of the deep learning model across space, time and spectra. We anticipate that the synergies between a variety of active orbit configurations can be used to accelerate application of existing algorithms to new datasets.

Kate Marie Duffy↗

DOE OSTI2020

A Community Energy Operations and Planning System: Concept, Use cases, Metrics, and Benefits

Community and city leaders are interested in achieving sustainability goals, providing resilient energy infrastructure, and improving economic competitiveness. Community-level data acquisition and analysis can provide energy and associated benefits that are not possible at the single building level. However, there is a lack of organizational structure, common semantic data models, interoperable systems, and methods to support data-driven decision-making for community-scale energy supply and demand systems. We explored the need and opportunity for a Community Energy Operations and Planning System (Community EOPS), a potential data exchange platform. We conducted “customer discovery” interviews, and reviewed literature, public tools, and technology platforms to identify key energy data “users” and use cases in communities. The key users of the Community EOPS could be developers of mixed-use districts, corporate, defense and university campus energy managers, and city managers of cities that own their energy utility. The value could be for community planning and reporting (for energy data-integrated land use planning and community infrastructure investments in microgrids, storage, district heating and cooling), energy efficiency (leveraging optimizations for community scale energy supply and demand), flexible load management (grid-edge load management to offset, shift, and flatten loads for multiple buildings and EV fleets), cost savings and revenue generation (participating in grid services), and social benefits such as energy resilience, equity, and awareness. We developed a conceptual Community EOPS architecture with recommendations for streamlined and prioritized data acquisition, sharing, and integration driven by prioritized use cases, common metrics, and actionable visualizations that can provide value to a community’s users.

Singh, Reshma↗

DOE OSTI2021

Implementation of quantum key distribution and quantum clock synchronization via time bin encoding

Quantum key distribution allows for a provably secure transmission of cryptographic keys over an optical channel. Encoded polarization states or time-bin degree of freedom have been used for successful demonstrations. However, photon losses in long fibers, slow single photon detectors, and detector dark counts significantly limit the overall bit rate. Improving key throughput and reducing the overhead of key reconciliation remain as major challenges. Methods which utilize multiple time bins allow for multiple key bits to be encoded in a single photon, thus increasing the fidelity of transmitted keys and decreasing the overhead of key reconciliation in real-world conditions. Previous implementations of these methods required that Alice and Bob share a time reference by sharing a dedicated classical channel used for synchronization. This work presents a technique that allows two parties to exchange time-bin encoded photons without the need for synchronized time references. Our technique uses a framing protocol which allows Alice to encode a time reference along with a key which is determined by Alice before transmission. Security can be achieved by monitoring the visibility of a pair of Franson interferometers, using decoy pulses and measuring the round trip time between Alice and Bob. The bit rate of this technique is limited only by the recovery time of the detector and the speed of the modulation electronics. We experimentally demonstrate a raw bit rate of 5Mb/s over an optical channel with 55dB of loss, which is competitive with current research. We also demonstrate absolute timing synchronization with an accuracy of 20ps.

encryption↗

DOE OSTI2024

Insight into molecular basis and dynamics of full-length CRaf kinase in cellular signaling mechanisms

Raf kinases play key roles in signal transduction in cells for regulating proliferation, differentiation, and survival. Despite decades of research into functions and dynamics of Raf kinases with respect to other cytosolic proteins, understanding Raf kinases is limited by the lack of their full-length structures at the atomic resolution. Here, we present the first model of the full-length CRaf kinase obtained from artificial intelligence/machine learning algorithms with a converging ensemble of structures simulated by large-scale temperature replica exchange simulations. Our model is validated by comparing simulated structures with the latest cryo-EM structure detailing close contacts among three key domains and regions of the CRaf. Our simulations identify potentially new epitopes of intramolecule interactions within the CRaf and reveal a dynamical nature of CRaf kinases, in which the three domains can move back and forth relative to each other for regulatory dynamics. The dynamic conformations are then used in a docking algorithm to shed insight into the paradoxical effect caused by vemurafenib in comparison with a paradox breaker PLX7904. In this study, we propose a model of Raf-heterodimer/KRas-dimer as a signalosome based on the dynamics of the full-length CRaf.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1985

Cross-equatorial and boundary layer exchange: A FGGE review

The Global Weather Experiment (FGGE) provided unique data on the interesting phenomenon of cross-equatorial flow. Such motion is a key element of the seasonal cycle of the tropics, especially in monsoonal regions. The IIb obserations, IIIb assimilations, and implied dynamics of the flows are reviewed. Additional emphasis is given to the low level branches concentrated in the planetary boundary layer, including air sea interaction and vertical turbulence processes. The results of a recent MONEX Boundary Layer Workshop are summarized.

Young, J. A.↗

DOE OSTI2021

Noncollinear magnetic configurations and substrate-mediated interactions in Mn trimers on the GaN (000$\bar{1}$) surface

Collinear and noncollinear calculations based on density functional theory are carried out to elucidate the magnetic ordering of Mn trimers on a GaN ($000\bar{1}$) substrate. These trimers had previously been observed in $3a \times 3a$ surface reconstructions through Mn deposition onto the N-polar face of wurtzite GaN($000\bar{1}$). In this work, we start off by studying the effect of spin orbit coupling for the case of monomers and dimers of Mn atoms on top of a GaN surface. Based on an effective spin Hamiltonian, we estimate the magnetic anisotropy energy (MAE) for those cases and found that it is four orders of magnitude weaker than the exchange magnetic coupling between Mn adatoms. In the Mn trimer case, the magnetic ground state has the Mn spins in-plane with the GaN surface in which the relative spin orientation within each trimer is noncollinear due to the competition between the two antiferromagnetic interactions that affect each Mn spin in the trimer, which leads to the found energy minimum with 120 degree angles between the spins. By exploring the nature and fundamental mechanisms for the magnetic interaction among the Mn trimers, we find that the surface states of the substrate play a key role, involving a Ruderman-Kittel-Kasuya-Yosida (RKKY)-type interaction. We report on an electron-mediated long-distance exchange coupling between localized magnetic moments on a GaN($000\bar{1}$) surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Pilot Development Progress to Demonstrate Electric Thermal Energy Storage (ETES) Using Low-Cost Particles

The rapid growth of future energy demand increases the need to economically store electrical energy over durations up to several days in long-duration energy storage (LDES) applications. LDES can reduce the grid stress for improving the resilience of the grid. The integration of renewable power and storage has several significant and positive impacts including expanding the renewable energy portion of electricity generation, meeting peak-load demand, and coordinating supply and demand. Several energy storage approaches including mechanical, chemical and electrochemical methods are currently deployed or under development. However, LDES requirements pose unique challenges for scalability, energy capacity, and cost. Thermal energy storage (TES) has the ability to store a large capacity of energy with improved site flexibility compared to incumbent LDES technologies (i.e., pumped hydro) and has attracted significant interest. Our development in TES technology using solid particles as the storage medium has shown feasibility and potential in serving LDES purposes. Particle TES has various advantages over commercialized molten nitrate salt TES and has emerged as a promising storage technology originating from Generation 3 concentrating solar power (CSP) development. Stable, inexpensive silica sand produced in the Midwestern U.S. was identified as a suitable storage medium and has been validated through lab heating and cycling tests. We have successfully developed particle TES for bidirectional electric energy storage to broaden the applications for TES beyond CSP technologies and into standalone electric-thermal energy storage (ETES) systems. Key component designs and performance were verified with prototype testing and model simulations. The ETES system uses high-temperature, low-cost particle thermal energy storage coupled with a unique pressurized fluidized bed heat exchanger that supports a high-efficiency, air-Brayton combined power cycle. At times of low energy demand or high renewable production, an electric particle heater heats large quantities of solid particles to high temperatures in excess of 1100 degrees C. The particles are stored in internally insulated silos. At times of high electricity demand, the hot particles are gravity-fed through the heat exchanger where stored thermal energy is transferred to the power cycle working fluid to drive the gas turbine power generation system, thereby converting the thermal energy back into electricity for the grid. The cold particles leaving the heat exchanger are returned to the storage silos by a well-insulated particle conveyor. This ETES technology using particle TES can be sited anywhere and is predicted to be economic and efficient. Moreover, this ETES technology could be co-located with a retired coal or gas plant to leverage existing power generation and grid infrastructure. Our work has focused on the development of each of the key components (e.g., the electric particle heater, particle storage silos, and the particle-to-gas pressurized fluidized bed heat exchanger) through conceptual designs, prototype testing, and computational modeling. These developments demonstrate technological feasibility and are an important step towards the next phase of development of this promising LDES technology. This presentation will show the progress in developing a pilot demonstration of the ETES system on a commercially relevant scale.

25 ENERGY STORAGE↗

DOE OSTI2020

Electron transfer calculations between edge sharing octahedra in hematite, goethite, and annite

A key reaction underlying the charge transport in iron containing oxides, clays, micas is the Fe$^{2+}$-Fe$^{3+}$ exchange reaction between edge-sharing iron octahedra. These reactions facilitate conduction in these minerals by the thermally-activated hopping of small polarons across the lattice. Depending on the mineral and local charge state the small polaron can either encase an electron or hole. The probability for conduction of small polarons depends strongly on the height and adiabicity of the reaction barrier, with larger and more diabatic barriers yielding slow conduction associated with either weak coupling or a large prerequisite rearrangement of the lattice during charge transport. To model these reactions, a first principle electron transfer (ET) method was developed to model the small polaron hopping between the edge-sharing octahedra sites in hematite ($e^{-}$ polaron), goethite ($e^{-}$ polaron), and annite ($h^{+}$ polaron) bulk structures. The ET method is based on electronic structure methods (i.e., plane-wave Density Functional Theory) capable of performing calculations with periodic cells and large size systems efficiently while at the same time being accurate enough to be used in the estimation of the electron-transfer coupling matrix element, $V_{AB}$, and the electron transfer transmission factor, $\kappa_{el}$. Additionally, the calculations confirmed the existence of small polarons in all three minerals, and the reactions were predicted to be strongly adiabatic. It was found that transfer of a hole in the octahedral layer of annite had an adiabatic barrier of $0.311$ eV, and the transfer of an extra electron in hematite and goethite had adiabatic barriers of $0.242$ eV and $0.232$ eV respectively. The electronic coupling parameters,$V_{AB}$, were found to be $0.188$ eV, $0.196$ eV, and $0.102$ eV respectively for hematite, goethite, and annite. While similar bonding topologies pertain, the underlying basis for the differences is the subtle differences in local structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Metal Organic Complexation in Seawater: Historical Background and Future Directions

The speciation of most biologically active trace metals in seawater is dominated by complexation by organic ligands. This review traces the history of work in this area, from the early observations that showed surprisingly poor recoveries using metal preconcentration protocols to the present day, where advances in mass spectroscopy and stable isotope geochemistry are providing new insights into the structure, origin, fate, and biogeochemical impact of organic ligands. Many long-standing hypotheses about the specific biological origin of ligands such as siderophores in seawater are finally being validated. This work has revealed the complexity of organic complexation, with multiple ligands and, in some cases, timescales of ligand exchange that are much slower than originally thought. The influence of organic complexation on scavenging is now a key parameter in biogeochemical models of biologically essential metals, especially iron. New insights about the sources and sinks of ligands are required to enhance the usefulness of these models.

Geochemistry & Geophysics↗

NASA NTRS1988

The meteorological measurement system on the NASA ER-2 aircraft

A Meteorological Measurement System (MMS) was designed for the high-altitude ER-2 aircraft (NASA 706). Through dedicated instrumentation installed on the aircraft and repeated calibrations, the MMS provides accurate in situ measurements of free-stream pressure, temperature, and the wind vector. The MMS has participated in two major high-altitude scientific expeditions, the Stratosphere-Troposphere Exchange Project (STEP) based in northern Australia and the Airborne Antarctic Ozone Experiment (AAOE) based in southern Chile. Key MMS subsystems are described. The MMS consists of a dedicated inertial navigation system (INS), a randome differential pressure system, a data acquisition system, and air data instrumentation. The MMS incorporates a high-resolution INS (Litton LIN-72RH model), which is specially configured and is updated at 25 Hz. The differential pressure system, consisting of two sets of pressure ports and transducers, is installed in the ER-2 radome to provide sensitive measurements of the airflow angles (angle of attack and angle of sideslip). The data acquisition system was designed to meet aircraft requirements of compactness and light weight (2 cu ft 50 lb) and for MMS requirements to sample, control, process, and store 45 parameters (some redundant) at a sampling rate up to 10 Hz. The MMS data are stored both in a tape recorder (20 MB) and a hermatically-sealed winchester hard disc (10 MB). Special and redundant instrumentation for temperature and pressure measurements were also installed on the aircraft.

Scott, Stan G.↗

NASA NTRS2016

Design, Development, and Testing of a Water Vapor Exchanger for Spacecraft Life Support Systems

Thermal and environmental control systems for future exploration spacecraft must meet challenging requirements for efficient operation and conservation of resources. Maximizing the use of regenerative systems and conserving water are critical considerations. This paper describes the design, development, and testing of an innovative water vapor exchanger (WVX) that can minimize the amount of water absorbed in, and vented from, regenerative CO2 removal systems. Key design requirements for the WVX are high air flow capacity (suitable for a crew of six), very high water recovery, and very low pressure losses. We developed fabrication and assembly methods that enable high-efficiency mass transfer in a uniform and stable array of Nafion tubes. We also developed analysis and design methods to compute mass transfer and pressure losses. We built and tested subscale units sized for flow rates of 2 and 5 cu ft/min (3.4–8.5 cu m/hr). Durability testing demonstrated that a stable core geometry was sustained over many humid/dry cycles. Pressure losses were very low (less than 0.5 in. H2O (125 Pa) total) and met requirements at prototypical flow rates. We measured water recovery efficiency across a range of flow rates and humidity levels that simulate the range of possible cabin conditions. We measured water recovery efficiencies in the range of 80 to 90%, with the best efficiency at lower flow rates and higher cabin humidity levels. We compared performance of the WVX with similar units built using an unstructured Nafion tube bundle. The WVX achieves higher water recovery efficiency with nearly an order of magnitude lower pressure drop than unstructured tube bundles. These results show that the WVX provides uniform flow through flow channels for both the humid and dry streams and can meet requirements for service on future exploration spacecraft. The WVX technology will be best suited for long-duration exploration vehicles that require regenerative CO2 removal systems while needing to conserve water.

Izenson, Michael G.↗

DOE OSTI2021

Joint CO 2 Mole Fraction and Flux Analysis Confirms Missing Processes in CASA Terrestrial Carbon Uptake Over North America

Terrestrial biosphere models (TBMs) play a key role in the detection and attribution of carbon cycle processes at local to global scales and in projections of the coupled carbon-climate system. TBM evaluation commonly involves direct comparison to eddy-covariance flux measurements. This study uses atmospheric CO 2 mole fraction ([CO 2 ]) measured in situ from aircraft and tower, in addition to flux-measurements from summer 2016 to evaluate the CASA TBM. WRF-Chem is used to simulate [CO 2 ] using biogenic CO 2 fluxes from a CASA parameter-based ensemble and CarbonTracker version 2017 (CT2017) in addition to transport and CO 2 boundary condition ensembles. The resulting “super ensemble” of modeled [CO 2 ] demonstrates that the biosphere introduces the majority of uncertainty to the simulations. Both aircraft and tower [CO 2 ] data show that the CASA ensemble net ecosystem exchange (NEE) of CO 2 is biased high (NEE too positive) and identify the maximum light use efficiency E max a key parameter that drives the spread of the CASA ensemble in summer 2016. These findings are verified with flux-measurements. The direct comparison of the CASA flux ensemble with flux-measurements confirms missing sink processes in CASA. Separating the daytime and nighttime flux, we discover that the underestimated net uptake results from missing sink processes that result in overestimation of respiration. NEE biases are smaller in the CT2017 posterior biogenic fluxes, which assimilates observed [CO 2 ]. Flux tower analyses, however, reveal an unrealistic overestimation of nighttime respiration in CT2017 due to the limitation of inversion strategy.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

The effect of water vapor on surface oxygen exchange kinetics of thin film (La,Sr)(Co,Fe)O 3-δ

Oxygen reduction and transport in electrochemical applications are strongly affected by the reactant gas composition, including impurities such as water. Understanding the relationship between oxygen reactivity and humidity is key for attaining stability and high efficiency of solid oxide fuel cells, which are especially attractive for transportation applications as low emission power generation devices. Both short- and long-term effects of moisture have previously been associated with use of ambient air. To better understand these effects, we study oxygen exchange kinetics at the cathode surface and the cathode/electrolyte interface using La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ (LSCF) epitaxial thin films as a model-surface system. In situ synchrotron X-ray techniques evaluate the oxygen reduction reaction (ORR) kinetics in response to environmental variables. The results suggest a clear enhancement of the ORR rate upon short term exposure of the perovskite-structured films to water. Finally, on the basis of these measurements, along with in situ X-ray characterization of Sr segregation and computational first-principles studies, we suggest a model for this increased ORR activity that may lead to further improvements by stabilizing active cathode surface configurations.

25 ENERGY STORAGE↗

NASA NTRS2017

Design and testing of high-performance mini-channel graphite heat exchangers in thermoelectric energy recovery systems

Recent national energy usage studies by Lawrence Livermore National Laboratory in 2015 [1] show that there is approximately 59 Quads (1015 Btu’s) of waste thermal energy throughout various industrial, residential, power generation, and transportation sectors of the U.S. economy. Thermoelectric energy recovery is one important technology for recovering this waste thermal energy in high-temperature industrial, transportation and military energy systems. Thermoelectric generator (TEG) systems in these applications require high performance hot-side and cold-side heat exchangers to provide the critical temperature differential and transfer the required thermal energy. High performance hot-side heat exchangers in these systems are often metal-based due to requirements for high-temperature operation, strength at temperature, corrosion resistance, and chemical stability. However, the generally selected metal-based hot-side heat exchangers (i.e., Inconels, Stainless Steels) suffer from low thermal conductivity, high thermal expansion, and high density, which degrades their thermal performance, leads to high thermal-expansion-driven stresses, and creates relatively high mass/high volume (i.e., low power density) TEG systems that are then difficult to fabricate and integrate into viable energy recovery systems. This paper describes the design and testing of a new, high-temperature minichannel graphite heat exchanger designed for operation up to 500C that is a critical element of a high-power-density TEG power system for aircraft energy recovery. This high-performance graphite heat exchanger represents a new state-of-the-art standard in high-temperature heat exchangers for TEG systems, which provides higher thermal transport, less thermal expansion at operation, lower system level stresses on TE components, and a lighter weight TEG system. This new heat exchanger creates a new design paradigm in TEG system design for terrestrial energy recovery and potential NASA technology infusion into terrestrial energy system applications. This paper will present and discuss the key heat transfer, pressure drop, pumping power analyses and design tradeoffs that created this unique design. Heat transfer and pressure drop modeling was performed with both empirical models based on known heat transfer and friction factor correlations and COMSOL thermal/fluid dynamic modeling of the graphite heat exchanger structure. We will also discuss resulting thermal transport and heat fluxes predicted at the TEG interface level. Heat exchanger performance testing was performed under simulated operating conditions and correlation with test data at the anticipated operating temperature conditions will be presented and discussed.

Shevade, Abhijit↗

DOE OSTI2025

Interactions Between Clouds and Wind-Driven Surface Heat Exchanges over Land

Earth system model experiments show that increasing horizontal resolution fundamentally alters the simulated soil-moisture-precipitation feedback. Kilometer-scale simulations often produce weaker or even negative feedback compared to coarse-resolution models. A key difference of kilometer-scale models is that they resolve mesoscale secondary circulations, including boundary layer horizontal rolls and cellular structures, in addition to cold pools and downdrafts associated with convective precipitation. However, because the relevant processes occur on yet-smaller scales, these circulations are often poorly resolved. This project demonstrated that boundary layer secondary circulations significantly affect surface heat exchanges and wind gusts, and that current model parameterizations can misrepresent these processes at kilometer-scale resolution. Using DOE Atmospheric Radiation Measurement (ARM) observations and targeted experiments with the DOE Energy Exascale Earth System Model (E3SM), we identified physically unrealistic wind gust and surface flux responses to secondary circulations, diagnosed a systematic overestimation of wind shear in convective cold pools, and uncovered a multivariate relationship between land surface fluxes and the scales of updrafts that form shallow cumulus clouds. These findings provide observation-based recommendations for improving parameterizations of surface fluxes and wind gusts in high-resolution Earth system models, thereby reducing uncertainty in convective storm prediction and land-atmosphere feedbacks.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Shear–Mediated Stabilization of Spin Spiral Order in Multiferroic NiI 2

Type-II multiferroicity from non-collinear spin order is recently explored in the van der Waals material NiI 2 . Despite the importance for improper ferroelectricity, the microscopic mechanism of the helimagnetic order remains poorly understood. Here, the magneto-structural phases of NiI 2 are investigated using resonant magnetic X-ray scattering (RXS) and X-ray diffraction. Two competing magnetic phases are identified. Below 60 K, an incommensurate magnetic reflection (q ≈ [0.143,0,1.49] reciprocal lattice units) is observed which exhibits finite circular dichroism in RXS, signaling the inversion symmetry-breaking helimagnetic ground state. At elevated temperature, in the non-polar phase (60 K < T < 75 K), a distinct q ≈ [0.087,0.087,1.5] magnetic order is observed, attributed to a collinear incommensurate (CI) state. The first-order CI-helix transition is concomitant with a structural transition characterized by a significant interlayer shear, which drives the helimagnetic ground state as evidenced by a mean-field Heisenberg model including interlayer exchange and its coupling to the structural distortion. Furthermore, these findings identify interlayer magneto-structural coupling as the key driver behind multiferroicity in NiI 2 .

36 MATERIALS SCIENCE↗

DOE OSTI2025

Unravelling the Stability Stressors of Atomically Dispersed Fe–N–C Oxygen Reduction Catalysts

Enhancing the catalytic stability of Fe–N–C catalysts for cathodic oxygen reduction in proton-exchange membrane fuel cells (PEMFCs) necessitates an in-depth understanding of their degradation mechanisms. Here, this study identifies key stressors affecting the stability of Fe–N–C catalysts, specifically acidic environment, oxygen (O 2 ), and reactive oxygen species (ROS). Through ex situ/operando experiments, we show that the oxidation of local carbon by acidic environment + O 2 + ROS, along with the demetalation of catalytic FeN x C y sites by O 2 or O 2 + ROS, is the primary factor responsible for the initial fast degradation of Fe–N–C catalysts. The demetalation of FeN x C y sites, influenced by O 2 , in particular by O 2 + ROS, leads to the subsequent gradual degradation of Fe–N–C. Notably, FeN 4 C 12 -type active sites are more susceptible to demetalation than FeN 4 C 10 -type sites in O 2 or O 2 + ROS. Our findings indicate that, besides constructing more stable FeN x C y sites, preventing local carbon oxidation and scavenging of ROS are all critical for maintaining the stability of Fe–N–C catalysts.

Xie, Xiaohong [Pacific Northwest National Laborato↗