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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Convective Transport of Very-short-lived Bromocarbons to the Stratosphere

We use the NASA GEOS Chemistry Climate Model (GEOSCCM) to quantify the contribution of two most important brominated very short-lived substances (VSLS), bromoform (CHBr3) and dibromomethane (CH2Br2), to stratospheric bromine and its sensitivity to convection strength. Model simulations suggest that the most active transport of VSLS from the marine boundary layer through the tropopause occurs over the tropical Indian Ocean, the Western Pacific warm pool, and off the Pacific coast of Mexico. Together, convective lofting of CHBr3 and CH2Br2 and their degradation products supplies ∼8 ppt total bromine to the base of the Tropical Tropopause Layer (TTL, ∼150 hPa), similar to the amount of VSLS organic bromine available in the marine boundary layer (∼7.8-8.4 ppt) in the above active convective lofting regions. Of the total ∼8 ppt VSLS-originated bromine that enters the base of TTL at ∼150 hPa, half is in the form of source gas injection (SGI) and half as product gas injection (PGI). Only a small portion (< 10%) the VSLS-originated bromine is removed via wet scavenging in the TTL before reaching the lower stratosphere. On global and annual average, CHBr3 and CH2Br2, together, contribute ∼7.7 pptv to the present-day inorganic bromine in the stratosphere. However, varying model deep convection strength between maximum and minimum convection conditions can introduce a ∼2.6 pptv uncertainty in the contribution of VSLS to inorganic bromine in the stratosphere (BryVSLS). Contrary to the conventional wisdom, minimum convection condition leads to a larger BryVSLS as the reduced scavenging in soluble product gases, thus a significant increase in PGI (2-3 ppt), greatly exceeds the relative minor decrease in SGI (a few 10ths ppt.

bromine↗
NASA NTRS2021

Planetary Boundary Layer Height Estimates From ICESat-2 and CATS Backscatter Measurements

The lowest layer of the atmosphere in which all human activity occurs is called the Planetary Boundary Layer (PBL). All physical interactions with the surface, such as heat and moisture transport, pollution dispersion and transport happen in this relatively shallow layer. The ability to understand and model the complex interactions that occur in the PBL is very important to air quality, weather prediction and climate modeling. A fundamental and physically important property of the PBL is its thickness or height. This work presents two methods to obtain global PBL height using satellite lidar data from the Ice, Cloud and land Elevation Satellite-2 (ICESat-2) and the Cloud-Aerosol Transport System (CATS). The first method is a straightforward backscatter threshold technique and the second is a machine learning approach known as a Convolutional Neural Network. The PBL height retrievals from the two methods are compared with each other and with PBL height from the NASA GEOS MERRA-2 reanalysis. The lidar-retrieved PBL heights have a high degree of spatial correlation with the model heights but are generally higher over ocean (∼400 m) and over northern hemisphere high latitude regions (∼1,000 m). Over mid-latitude and tropical land areas, the satellite estimated PBL heights agree well with model mid-day estimates. This work demonstrates the feasibility of using satellite lidar backscatter measurements to obtain global PBL height estimates, as well as determining seasonal and regional variability of PBL height.

Stephen P Palm↗
NASA NTRS2014

Delay of Transition Using Forced Damping

Several experiments which have reported a delay of transition are analyzed in terms of the frequencies of the induced disturbances generated by different flow control elements. Two of the experiments employed passive stabilizers in the boundary layer, one leading-edge bluntness, and one employed an active spark discharge in the boundary layer. It is found that the frequencies generated by the various elements lie in the damping region of the associated stability curve. It is concluded that the creation of strong disturbances in the damping region stabilizes the boundary-layer and delays the transition from laminar to turbulent flow.

Exton, Reginald J.↗
DOE OSTI2024

Radar and lidar based cloud type product at the ARM ENA observatory

Following methods outlined in Remillard et al. (2012), we classify seven cloud types using radar reflectivity, best-estimated cloud base, and cloud-layer product from the Active Remotely Sensed Cloud Locations (ARSCL) product (Kollias et al. 2007). A cloud mask is created based on the detectable radar reflectivity (>-40 dBZ) combined with the best-estimated cloud base height. Each cloud object is analyzed individually as contiguous cloudy pixels, and its type is determined based on the cloud’s boundaries and duration. Focusing on marine boundary-layer clouds, low clouds are further classified into four types: shallow cumulus, broken stratocumulus (Sc) or cumulus clouds, single-layer Sc, and multi-layer Sc or Sc coupled with cumulus. The remaining three categories are middle clouds, high clouds, and deep convective clouds. For detailed definition of each cloud type, please refer to Zheng et al. (2024).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2022

Semispan Test Results of a Conventional High-Lift Common Research Model in Landing Configuration

A 10%-scale high-lift version of the Common Research Model (CRM-HL) was tested in the 14- by 22-Foot Subsonic Tunnel at the NASA Langley Research Center. This research was aimed at providing a representative reference case for comparison with an Active Flow Control (AFC) enabled version of the CRM-HL and to increase the existing experimental database for CFD high-lift prediction. The test was conducted mostly at a freestream Mach number of 0.20. The effects of the engine nacelle, nacelle chine, tufts, small variations in Mach number, hysteresis-associated increasing/decreasing angle of attack, and incoming floor boundary-layer thickness (i.e., thinning by activation of the floor boundary layer removal system) were examined. A prestall lift performance degradation for the CRM-HL configuration was resolved with a properly placed nacelle chine. Surface pressure results are presented in detail for three key variants of CRM-HL — baseline (nacelle on), nacelle off, and nacelle with the most effective chine installation. The presented aerodynamic forces and surface pressures include both with and without the wall correction using the Transonic Wall Interference Correction System (TWICS) method. A limited set of photogrammetry results is also presented to document the model deformation under test conditions.

high-lift↗
DOE OSTI2025

Subsurface fluvial sediments beneath InSight on Mars from geophysical constraints

Subsurface structure investigation on Mars is crucial for understanding its geological evolution and past hydrological conditions. Elysium Planitia (EP), located near the hypothesized ancient ocean shorelines, could contain clues for past water activity and paleoclimate. Here we present better-constrained subsurface models beneath InSight extending to ~800 m depth, obtained from joint inversion of seismic and seismoacoustic coupling data, and use the well-resolved subsurface structure to explore the lithological profile through rock physics models. The derived subsurface lithology agrees well with local geological context and exhibits a shallow 60-m-thick low-rigidity layer consistent with hydrated sedimentary materials. Despite possible contributions of aeolian and volcanic deposits, we favor the interpretation that the low-rigidity layer originated from fluvial activity in EP during the Hesperian or Hesperian-to-Amazonian epoch, as supported by adjacent paleo-shoreline morphology observations. These results hint at a period of warmer paleoclimate at low latitudes, possibly during high-obliquity phases of Mars’ rotational axis.

58 GEOSCIENCES↗
DOE OSTI2024

In‐Operando Spatiotemporal Imaging of Coupled Film‐Substrate Elastodynamics During an Insulator‐to‐Metal Transition

Abstract The drive toward non‐von Neumann device architectures has led to an intense focus on insulator‐to‐metal (IMT) and the converse metal‐to‐insulator (MIT) transitions. Studies of electric field‐driven IMT in the prototypical VO 2 thin‐film channel devices are largely focused on the electrical and elastic responses of the films, but the response of the corresponding TiO 2 substrate is often overlooked, since it is nominally expected to be electrically passive and elastically rigid. Here, in‐operando spatiotemporal imaging of the coupled elastodynamics using X‐ray diffraction microscopy of a VO 2 film channel device on TiO 2 substrate reveals two new surprises. First, the film channel bulges during the IMT, the opposite of the expected shrinking in the film undergoing IMT. Second, a microns thick proximal layer in the substrate also coherently bulges accompanying the IMT in the film, which is completely unexpected. Phase‐field simulations of coupled IMT, oxygen vacancy electronic dynamics, and electronic carrier diffusion incorporating thermal and strain effects suggest that the observed elastodynamics can be explained by the known naturally occurring oxygen vacancies that rapidly ionize (and deionize) in concert with the IMT (MIT). Fast electrical‐triggering of the IMT via ionizing defects and an active “IMT‐like” substrate layer are critical aspects to consider in device applications.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Large Eddy Simulation of Cirrus Clouds

The Regional Atmospheric Modeling System (RAMS) with mesoscale interactive nested-grids and a Large-Eddy Simulation (LES) version of RAMS, coupled to two-moment microphysics and a new two-stream radiative code were used to investigate the dynamic, microphysical, and radiative aspects of the November 26, 1991 cirrus event. Wu (1998) describes the results of that research in full detail and is enclosed as Appendix 1. The mesoscale nested grid simulation successfully reproduced the large scale circulation as compared to the Mesoscale Analysis and Prediction System's (MAPS) analyses and other observations. Three cloud bands which match nicely to the three cloud lines identified in an observational study (Mace et al., 1995) are predicted on Grid #2 of the nested grids, even though the mesoscale simulation predicts a larger west-east cloud width than what was observed. Large-eddy simulations (LES) were performed to study the dynamical, microphysical, and radiative processes in the 26 November 1991 FIRE 11 cirrus event. The LES model is based on the RAMS version 3b developed at Colorado State University. It includes a new radiation scheme developed by Harrington (1997) and a new subgrid scale model developed by Kosovic (1996). The LES model simulated a single cloud layer for Case 1 and a two-layer cloud structure for Case 2. The simulations demonstrated that latent heat release can play a significant role in the formation and development of cirrus clouds. For the thin cirrus in Case 1, the latent heat release was insufficient for the cirrus clouds to become positively buoyant. However, in some special cases such as Case 2, positively buoyant cells can be embedded within the cirrus layers. These cells were so active that the rising updraft induced its own pressure perturbations that affected the cloud evolution. Vertical profiles of the total radiative and latent heating rates indicated that for well developed, deep, and active cirrus clouds, radiative cooling and latent heating could be comparable in magnitude in the cloudy layer. This implies that latent heating cannot be neglected in the construction of a cirrus cloud model. The probability density function (PDF) of w was analyzed to assist in the parameterization of cloud-scale velocities in large-scale models. For the more radiatively-driven, thin cirrus case, the PDFs are approximately Gaussian. However, in the interior of the deep, convectively unstable case, the PDFs of w are multi-modal and very broad, indicating that parameterizing cloud-scale motions for such clouds can be very challenging. The results of this research are described in detail in a paper submitted to the Journal of Atmospheric Science (Wu and Cotton, 1999), which is enclosed as Appendix 2. Using soundings extracted from a mesoscale simulation of the November 26, 1991 cirrus event, the radiative effects on vapor deposition/sublimation of ice crystals was studied using a two-dimensional cloud-resolving model (CRM) version of RAMS, coupled to an explicit bin-resolving microphysics. The CRM simulations of the November 26, 1991 cirrus event demonstrate that the radiative impact on the diffusional growth (or sublimation) of ice crystals is significant. In this case, the ice particles experienced radiative warming. Model results show that radiative feedbacks in the diffusional growth of ice particles can be very complex. Radiative warming of an ice particle will restrict the particle's diffusional growth. In the case of radiative warming, ice particles larger than a certain size will experience so much radiative warming that surface ice saturation vapor pressures become large enough to cause sublimation of the larger crystals, while smaller crystals are growing by vapor deposition. However, ice mass production can be enhanced in the case of radiative cooling of an ice particle. For the November 26, 1991 cirrus event, radiative feedback results in significant reduction in the total ice mass, especially in the production of large ice crystals, and consequently, both radiative and dynamic properties of the cirrus cloud are significantly affected. A complete description of this research has been submitted as a paper to the Journal of Atmospheric Science (Wu et al., 1999), and included as Appendix 3.

Wu, Ting↗
NASA NTRS1991

Helmet of a laminate construction of polycarbonate and polysulfone polymeric material

An article of laminate construction is disclosed which is comprised of an underlayer of polycarbonate polymer material to which is applied a chemically resistant outer layer of polysulfone. The layers which are joined by compression-heat molding, are molded to form the shape of a body protective shell such as a space helmet comprising a shell of polycarbonate, polysulfone laminate construction attached at its open end to a sealing ring adapted for connection to a space suit. The front portion of the shell provides a transparent visor for the helmet. An outer visor of polycarbonate polysulfone laminate construction is pivotally mounted to the sealing ring for covering the transparent visor portion of the shell during extravehicular activities. The polycarbonate under layer of the outer visor is coated on its inner surface with a vacuum deposit of gold to provide additional thermal radiation resistance.

Kosmo, Joseph J.↗
NASA NTRS1980

Io - Energy constraints and plume volcanism

Observational and theoretical considerations, including near-surface energy constraints, suggest a model of Io that features a surface layer of sulfur overlying an active silicate crust. Such a model would imply frequent contact between silicate magma intrusions and the sulfur layer. This contact could produce volcanic plumes driven by high-temperature sulfur vapor. Plumes driven by sulfur vapor meet observational constraints for a wide range of possible conditions, in contrast to the special conditions required for plume generation by SO2. Characteristics of the two models are compared, and it is suggested that high-spatial-resolution infrared radiometry could identify the driving volatile.

Reynolds, R. T.↗
DOE OSTI2025

Polyhydroxybutyrate laminated trilayer films with enhanced barrier and mechanical properties for active food packaging

Polysaccharides such as starch and chitosan have been explored for sustainable food packaging films. However, their inherent hydrophilicity and brittleness cause poor water vapor barrier performance and limited mechanical properties. To address these issues, starch was first functionalized with acetoacetate groups and subsequently blended with chitosan. Dynamic cross-linking occurred between the acetoacetate groups and the primary amine groups of chitosan, forming vinylogous urethane linkages that reduced the water solubility of the films while preserving high mechanical strength. With 30 wt% of glycerol as a plasticizer, the resulting films showed a tensile strength of up to 24.68 MPa and an elongation at break of up to 83.96%. To improve the barrier properties, poly(3-hydroxybutyrate) (PHB), plasticized with 5-15 wt% epoxidized vegetable oil, was laminated on top of the chitosan/modified starch films, resulting in a significantly reduced water vapor transmission rate (WVTR) of 66%. Additional components, such as food colors like β-carotene were incorporated into this layer to make UV-protective films. A third layer of PHB without active additives was then coated to further reduce WVTR by 99%. Therefore, this multilayer lamination strategy effectively enhanced the barrier and mechanical properties of the polysaccharide-based packaging films.

Active packaging↗
DOE OSTI2022

Selectively patterned Mg-doped GaN by SiN x -driven hydrogen injection

In this work, we demonstrate a method to achieve selectively patterned Mg-doped GaN layers using hydrogen drive-in through plasma-enhanced chemical vapor deposition (PECVD) silicon nitride (SiN x ) films. Activated Mg-doped GaN layers were selectively deactivated by patterned PECVD SiN x films with low-temperature annealing and showed high-resistive behavior. Spatially resolved photoluminescence measurements were used to optically verify the deactivation of Mg acceptors and showed distinct features corresponding to activated and deactivated Mg in GaN. The method suggested here provides a simple and effective method to achieve patterned Mg-doped GaN regions without thermal and plasma damage, which could cause degradation of device performance. The proposed method could provide a way to achieve future high-performance GaN lateral and vertical devices that rely on laterally patterned doping.

42 ENGINEERING↗
DOE OSTI2021

Oxygen Vacancies Enriched Bi Based Catalysts for Enhancing Electrocatalytic CO2 Reduction to Formate

The practical application of CO2 conversion through electrochemical reduction is still hindered by the lack of high performance and cost-effective catalysts. It is thus imperative to explore feasible strategies for scalable fabrication of catalysts for CO2 reduction to targeting products with high efficiency. Herein, for the first time, a hybrid of BiOx encapsulated in carbon thin layer is developed as high active electrocatalyst for CO2 conversion, which is synthesized by pyrolysis using Bi MOF as precursor and sacrificial template. The carbon layer overcoating BiOx catalyst exhibits superior performance for CO2 reduction to formate, achieving a maximum Faradaic efficiency of 89.3 % and a maximum current density of 37.8 mA cm-2. It is found that the as-prepared BiOx catalyst is enriched with oxygen vacancies stabilized by the encapsulating carbon layer. Both the carbon layer and oxygen vacancies improve the charge transfer of the catalyst, in favor of the high formate current density. The defects of oxygen vacancies play a vital role in CO2 adsorption and activation and thereby further enhancing the electrocatalytic ability for formate production.

oxygen vacancy, bismuth, carbon coating, CO2 elect↗
DOE OSTI2021

Tuning electrochemically driven surface transformation in atomically flat LaNiO 3 thin films for enhanced water electrolysis

Structure–activity relationships built on descriptors of bulk and bulk-terminated surfaces are the basis for the rational design of electrocatalysts. However, electrochemically driven surface transformations complicate the identification of such descriptors. In this work, we demonstrate how the as-prepared surface composition of (001)-terminated LaNiO 3 epitaxial thin films dictates the surface transformation and the electrocatalytic activity for the oxygen evolution reaction. Specifically, the Ni termination (in the as-prepared state) is considerably more active than the La termination, with overpotential differences of up to 150 mV. A combined electrochemical, spectroscopic and density-functional theory investigation suggests that this activity trend originates from a thermodynamically stable, disordered NiO 2 surface layer that forms during the operation of Ni-terminated surfaces, which is kinetically inaccessible when starting with a La termination. Our work thus demonstrates the tunability of surface transformation pathways by modifying a single atomic layer at the surface and that active surface phases only develop for select as-synthesized surface terminations.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Cerebral cortical neurons with activity linked to central neurogenic spontaneous and evoked elevations in cerebral blood flow

We recorded neurons in rat cerebral cortex with activity relating to the neurogenic elevations in regional cerebral blood flow (rCBF) coupled to stereotyped bursts of EEG activity, burst-cerebrovascular wave complexes, appearing spontaneously or evoked by electrical stimulation of rostral ventrolateral medulla (RVL) or fastigial nucleus (FN). Of 333 spontaneously active neurons only 15 (5%), in layers 5-6, consistently (P < 0.05, chi-square) increased their activity during the earliest potential of the complex, approximately 1.3 s before the rise of rCBF, and during the minutes-long elevation of rCBF elicited by 10 s of stimulation of RVL or FN. The results indicate the presence of a small population of neurons in deep cortical laminae whose activity correlates with neurogenic elevations of rCBF. These neurons may function to transduce afferent neuronal signals into vasodilation.

NASA Discipline Cardiopulmonary↗
NASA NTRSDate not supplied

Effect of salinity on the preservation of biomarkers in hypersaline microbial mat kerogens

Kerogen is the residue that remains after the minerals and organic compounds have been extracted from a rock using acid and organic solvents, respectively [1]. It is not only the largest organic carbon sink in the geological record but the best-preserved fraction due to its recalcitrance and ability to retain syngenetic source information during deposition [2]. Due to the complex, macromolecular, cross-linked polymeric structure of kerogen, it is difficult to analyse intact, often requiring breakdown into smaller subunits through thermal (pyrolysis) or chemical treatment (chemolysis) [3]. Saline and hypersaline environments host diverse microbial communities, which can trap and bind organic matrices such as cellular components (e.g., extracellular polymeric substances, cell wall, peptidoglycan, sheath material, etc.) with sediments, forming layered, laminated structures called microbial mats. Here we present depth profiles of two hypersaline cores through a microbial mat with differing total salinities. We looked at the composition of organic compounds released from kerogen during high temperature, hydrogen-assisted, pyrolysis to understand the effect of salinity on the composition and timing of their incorporation [4]. Field Site: The Exportadora del Sal S. A. (ESSA) saltern of Guerrero Negro (Baja California Sur, Mexico) lies within a typical sabhka environment adjacent to Laguna Ojo de Liebre. Note the spatial extent of the 13 major ponds of the ESSA system. The GN ponds thrive under well-monitored and stable conditions with steady state accretion and degradation of mat layers (around 0.5–1.4 cm per year). Organic mats typically attain up to 10 cm in thickness, depending on the location, which represents about 60 years of growth since these ponds were established. Sedimentation rate is rapid in these non-lithifying and non-mineralising mats, 1–1.5 cm per year. This environment is ideal for investigating in situ lipid preservation and diagenesis without the influence of constantly changing physical parameters. Methods: P4n5 and P5AB cores were collected as ~9 cm and 6.5 cm fresh cores, respectively, in June 2001 and September 2010, respectively from the ESSA saltern. The P4n5 core (9-9.1% salinity) was taken from Pond 4 near 5 and sub-divided into 10 layers. The P5AB core (11.2% salinity) was taken from Pond 5A near 5B and sub-divided into 8 layers. Lyophilised microbial mat powders were solvent-extracted using a modified Bligh-Dyer method and analysed by gas chromatography-mass spectrometry (GC-MS). Additionally, a subset of layers—layer 4 and layer 7—which represented active biomass and sediment-processed, respectively, were subjected to mild-acid methanolysis. The respective residues from conventional solvent extraction and acid methanolysis were loaded with a molybdenum sulfide catalyst and placed into a stainless-steel reactor. Samples were run on the hydropyrolysis set up (heated to 500 °C with 13-15 MPa of H2 pressure), extracted, and analysed by GC-MS. Results: Molecular profiles from the two ponds were significantly different and reflect the contributions of different photosynthetic and respiratory microbial communities to preserved organic matter. For example, the higher salinity P5AB core showed evidence of greater archaeal inputs (similarly observed in lab culture experiments [5]) as well as potential kerogen-bound carotenoids/carotenoid rearranged products or fragments. A hydrophobic emulsion formed during the acid methanolysis processing of layer 4 from both P4n5 and P5AB and layer 7 of P5AB. Hydropyrolysis of this hydrophobic residues released a greater abundance of polycyclic lipids relative to the pre-extracted control. Implications and Future Work: Catalytic hydropyrolysis of kerogen can rapidly generate abundant saturated pyrolysate products from the bound biomarker pool without altering the structures or stereochemistries of the products [6]. Chemical processing of solvent-extractable residues indicated that cellular matrices such as extracellular polymeric substances (EPS) may play a role in the sequestration of polycyclic lipid biomarkers such as steranes and hopanes. Their higher relative abundance compared to the pre-extracted control in the higher salinity layers and cores preliminarily aligns with this hypothesis, although further experiments are required to confirm this. It has been well-documented that EPS plays an important role in mineralisation, specifically carbonate formation, in microbial ecosystems. EPS can enhance calcium carbonate precipitation by providing diffusion-limited sites that create alkalinity gradients in response to microbial processes [7]. It has been experimentally demonstrated that salinity influences the total amount of EPS (both loosely- and tightly-bound) which increases with increasing salinity [8]. The higher salinity at Guerrero Negro switches the microbial population from filamentous Microcoleus to being dominated by Phormidium, Oscillatoria, and unicellular cyanobacteria. We demonstrated that lipid binding into kerogen via strong covalent linkages occurs at the very earliest stages of sedimentary diagenesis. We are currently investigating the influence of salinity on organic preservation through experimental and modelling approaches. Understanding how key biomarkers transform into preserved organic matter (i.e., from precursor biolipids to bound geolipids) in brine ecosystems will aid the search for organic biosignatures on other planetary bodies, especially Icy Moons and modern Mars.

hypersaline↗
NASA NTRS2012

A Performance Evaluation of NACK-Oriented Protocols as the Foundation of Reliable Delay- Tolerant Networking Convergence Layers

Delay-Tolerant Networking (DTN) is an active area of research in the space communications community. DTN uses a standard layered approach with the Bundle Protocol operating on top of transport layer protocols known as convergence layers that actually transmit the data between nodes. Several different common transport layer protocols have been implemented as convergence layers in DTN implementations including User Datagram Protocol (UDP), Transmission Control Protocol (TCP), and Licklider Transmission Protocol (LTP). The purpose of this paper is to evaluate several stand-alone implementations of negative-acknowledgment based transport layer protocols to determine how they perform in a variety of different link conditions. The transport protocols chosen for this evaluation include Consultative Committee for Space Data Systems (CCSDS) File Delivery Protocol (CFDP), Licklider Transmission Protocol (LTP), NACK-Oriented Reliable Multicast (NORM), and Saratoga. The test parameters that the protocols were subjected to are characteristic of common communications links ranging from terrestrial to cis-lunar and apply different levels of delay, line rate, and error.

Iannicca, Dennis↗
DOE OSTI2025

Rational Selection of Transition-Metal Oxide Electrocatalysts from Structure Electronic Structure-Activity Relations: The Role of Defects, Strain, and Sub-Surface Layering

This BES research investigates the physicochemical properties of metal oxides and how they affect electrocatalytic functionalities. The goal is to develop a predictive framework for realizing top-performing electrocatalytic materials for energy-critical reactions. The hypothesis is that well-defined thin films allow detailed mapping of structural-activity relationships because flat surfaces are more straightforward to characterize. Furthermore, the well-defined nature of thin-film metal oxides allows precise tuning of structural and chemical variables for structure-activity-relationship mapping. The proposed research has two technical objectives. The first is to experimentally assess whether the binding energies of surface oxygen can serve as an activity descriptor for oxygen electrocatalysis on metal oxides and then how to control them by tuning the structure and chemical variables. The second is to find the rate-limiting process in oxygen electrocatalysis and other small-molecule reactions. Similar mechanistic insights have been developed on well-defined platinum surfaces but not yet on oxides. This research addresses this gap and uses electrochemistry and X-ray photoemission spectroscopy to study oxide surface chemistry. The obtained insights are collectively analyzed to reveal how the oxides’ structural and chemical variables affect kinetics and can be used to design more active electrocatalysts for energy-critical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗