SEARCH · Engineering Papers

Results for “CeO”

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.

SourceResearch connectionFrom yearThrough year

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

At least 199 records · Page 11

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Elucidating the degradation mechanisms of Pt-free anode anion-exchange membrane fuel cells after durability testing

The development of anion-exchange membrane fuel cells (AEMFCs) has recently accelerated due to synergistic improvements yielding highly conductive membranes, stable ionomers, and enhanced alkaline electrocatalysts. However, cell durability, especially under realistic conditions, still poses a major challenge. Herein, we employ low-loadings of Pt-free Pd-based catalysts in the anode of AEMFCs and elucidate potential degradation mechanisms impacting long-term performance under conditions analogous to the real-world (high current density, H 2 –air (albeit CO 2 -free), and intermittent operation). Our high-performing AEMFCs achieve impressive performance with power densities approaching 1 W cm —2 and current densities up to 3.5 A cm —2 . Over a 200 h period of continuous operation in H 2 –air at a current density of 600 mA cm —2 , our model Pd/C–CeO 2 anode cell exhibits record stability (~30 μV h —1 degradation) compared to the literature and up to 6× better stability than our Pd/C and commercial Pt/C anode cells. Following an 8 h shutdown, the Pd/C–CeO 2 anode cell was restarted and continued for an additional 300 h with a higher degradation rate of ~600 μV h —1 . Thorough in situ evaluations and post-stability analyses provide insights into potential degradation mechanisms to be expected during extended operation under more realistic conditions and provide mitigation strategies to enable the widespread development of highly durable AEMFCs.

08 HYDROGEN↗

DOE OSTI2024

Elucidation of Ce/Zr ratio effects on the physical properties and catalytic performance of CuO x /Ce y Zr 1− y O 2 catalysts

Although cerium oxide (CeO 2 ) is widely used as a catalyst support, its limited defect sites and surface oxygen vacancy/mobility should be improved. The incorporation of zirconium (Zr) in the cerium (Ce) lattice is shown to increase the number of oxygen vacancies and improve catalytic activity. Using a fixed surface density (SD) of copper (∼2.3 Cu atoms per nm 2 ) as a surface species, the role of the support (Ce y Zr 1−y O 2 (y = 1.0, 0.9, 0.6, 0.5, and 0.0)) and defect site effects in the CO oxidation reaction was investigated. Spectroscopic (e.g., Raman, XRD, XPS) and microscopic (e.g., SEM-EDX, HR-TEM) characterization techniques were applied to evaluate the defect sites, crystallite size, lattice parameters, chemical composition, oxidation states of elements and microstructure of the catalysts. Here, the CO oxidation reaction with varied CO : O 2 ratios (1 : 5, 1 : 1, and 1 : 0.5 (stoichiometric)) was used as a model reaction to describe the relationship between the structure and the catalytic performance of each catalyst. Based on the characterization results of Ce y Zr 1−y O 2 materials, the addition of Zr causes physical and chemical changes to the overall material. The inclusion of Zr into the structure of CeO 2 decreased the overall lattice parameter of the catalyst and increased the number of defect sites. The prepared catalysts were able to reach complete CO conversion (∼100%) at low temperature conditions (<200 °C), each showing varied reaction activity. The difference in CO oxidation activity was then analyzed and related to the structure, wherein Cu loading, surface oxygen vacancies, reduction–oxidation ability, CuO x –support interaction and oxygen mobility in the catalyst were the crucial descriptors.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Phase segregation of a composite air electrode unlocks the high performance of reversible protonic ceramic electrochemical cells

One breakthrough in developing highly efficient air electrodes for reversible protonic ceramic electrochemical cells (R-PCECs) is optimizing the sluggish oxygen reduction and water oxidation reactions. Here, we present a novel composite material with a nominal formula of high-entropy Ce 0.2 Ba 0.2 Sr 0.2 La 0.2 Ca 0.2 CoO 3–δ (CBSLCC) that spontaneously self-assembles to three-phase electrocatalysts composed of deficient Ce 0.2–y Ba 0.2 Sr 0.2–x La 0.2–x Ca 0.2 CoO 3–δ (CD-CBSLCC), CeO 2 , and La 0.5 Sr 0.5 CoO 3–δ (LSC). Mechanistic studies corroborate that oxygen reduction may occur on entire air electrode surfaces, followed by water formation preferentially at or near CD-CBSLCC. The CeO 2 phase could provide or consume protons to facilitate the oxygen evolution/reduction kinetics in R-PCECs. The developed electrodes demonstrate a record-high electrochemical performance in dual modes of fuel cells and electrolysis cells, delivering a peak power density of 1.66 W cm –2 at 600 °C and a current density of –1.76 A cm –2 at 1.3 V and 600 °C. Finally, excellent operational stabilities of the fuel cell (200 h at 600 °C), electrolysis cell (200 h at 600 °C), and reversible cycling (548 h at 550 °C) provide a promising and reliable step towards realizing the commercialization of R-PCECs.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Modeling surface spin polarization on ceria-supported Pt nanoparticles

In this work, we employ density functional theory simulations to investigate possible spin polarization of CeO 2 -(111) surface and its impact on the interactions between a ceria support and Pt nanoparticles. With a Gaussian type orbital basis, our simulations suggest that the CeO 2 -(111) surface exhibits a robust surface spin polarization due to the internal charge transfer between atomic Ce and O layers. In turn, it can lower the surface oxygen vacancy formation energy and enhance the oxide reducibility. We show that the inclusion of spin polarization can significantly reduce the major activation barrier in the proposed reaction pathway of CO oxidation on ceria-supported Pt nanoparticles. For metal-support interactions, surface spin polarization enhances the bonding between Pt nanoparticles and ceria surface oxygen, while CO adsorption on Pt nanoparticles weakens the interfacial interaction regardless of spin polarization. However, the stable surface spin polarization can only be found in the simulations based on the Gaussian type orbital basis. Furthermore, given the potential importance in the design of future high-performance catalysts, our present study suggests a pressing need to examine the surface ferromagnetism of transition metal oxides in both experiment and theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Novel inverse oxide/metal catalysts for methanol synthesis: impact of oxide–metal interactions and reversible morphological changes

Inverse oxide/metal catalysts have proved to be excellent systems for the generation of methanol by CO 2 hydrogenation or the partial oxidation of methane. These systems can exhibit unique structural and chemical properties due to the nano size of the oxide component and strong oxide–metal interactions. Recent studies for ZnO/Cu, CeO 2 /Cu, TiO 2/ Cu, MgO/Cu, In 2 O 3 /Cu, and In 2 O 3 /Au catalysts have shown large variations in the composition and morphology of the oxide overlayer as a function of temperature and chemical environment. These oxide–metal interfaces are able to react with CO 2 and CH 4 at room temperature, and both reactants have a strong influence on the physical and chemical properties of the catalysts. Under reaction conditions, switches between oxide–metal and metal–metal interfaces can take in the catalyst surface. A dynamic behavior that can be linked to a high selectivity for methanol production over systems such as ZnO/Cu, CeO 2 /Cu and In 2 O 3 /Au. Finally, this type of correlation deserves additional systematic studies since it could be a powerful tool for designing highly efficient catalysts for methanol synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Assessment of exchange-correlation functionals on oxygen vacancy formation energies of metal oxides

Oxygen vacancies are a common defect in oxides and play vital roles in many technological applications such as oxygen separation, catalytic reactors, solid oxide fuel cells, and solar thermochemical water splitting. The oxygen vacancy formation energy is directly related to the oxide reduction enthalpy and the vacancy concentration and, therefore, is a key quantity underlying these applications. The complexity of measuring oxygen vacancy formation energies experimentally suggests the utility of calculations based on density functional theory (DFT). However, the calculated results are strongly dependent on the exchange-correlation functionals and other parameters such as the Hubbard U . In this work, we compare the performance of the meta-GGA strongly constrained and appropriately normed (SCAN) functional and the commonly used semilocal generalized gradient approximation (GGA) functionals with experimental values of structural parameters, band gaps, magnetic structures, and oxygen vacancy formation energies for six representative oxides, i.e., CaMnO 3 , SrMnO 3 , LaMnO 3 , YMnO 3 , LaFeO 3 , and CeO 2 . Further, our results show that SCAN usually has better agreement with the experimental lattice constants and band gaps and larger magnetic moments than the commonly used GGA functionals. Although SCAN overestimates the oxygen vacancy formation energies of transition metal oxides and therefore requires unusually large Hubbard U values to reproduce the experimental reduction enthalpies, it does predict the correct oxygen vacancy formation energy of CeO 2 , which challenges the commonly used GGA and hybrid functionals. Our results underscore the challenges that exist in describing these complex oxides by DFT and may shed light on developing more accurate exchange-correlation functionals for oxygen vacancy formation energy calculations.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A molecular dynamics survey of grain boundary energy in uranium dioxide and cerium dioxide

Uranium dioxide (UO 2 ) is the primary fuel material that is used in current nuclear reactors. As one of the most fundamental material parameters, grain boundary (GB) energy strongly influences many fuel properties, and the influences depend on the characters and properties of individual GBs. Using molecular dynamics simulations, a high throughput survey of GB energy in UO 2 was carried out for the purpose of elucidating the roles of GB geometry such as misorientation and inclination, as well as the bonding nature of UO 2 , in affecting GB energy. GB energies in CeO 2 were calculated as well for comparison with UO2toinvestigate the generality of GB energy anisotropy in fluorite phase oxides. The results show significant GB energy anisotropy in both UO 2 and CeO 2 that is associated with the cubic symmetry of the fluorite structure. More interestingly, the GB anisotropy is found to be dependent not only on the crystal structure but also the ionic bonding. As such, the GB energy anisotropy in fluorite oxides has significant differences compared with that in fcc metals. We report that the data obtained and the increased knowledge on GB anisotropy will facilitate GB engineering for nuclear fuels with improved properties

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Investigating the Catalytic Requirements of Perovskite Fuel Electrodes Using Ultra-Low Metal Loadings

Solid Oxide Fuel Cells (SOFC) with La 0.3 Sr 0.7 TiO 3 (LST)–yttria-stabilized ZrO 2 (YSZ) anodes were prepared by impregnation of LST into porous YSZ scaffolds and then modified by Atomic Layer Deposition (ALD) of Ni, Pt, Pd, Fe, Co. and CeO 2 . Weight loadings as low as 0.01% of Pt, Ni, and Pd were sufficient to decrease anode impedances by orders of magnitude for operation in humidified H 2 at 973 K. The effects of CeO 2 , Co, and Fe were less but still significant. Sintering at higher temperatures was important. Furthermore, possible ways of stabilizing the metal particles and implications for developing ceramic anodes are discussed.

25 ENERGY STORAGE↗

DOE OSTI2025

Implementation of stacked ensemble machine learning for the detection of surrogate plutonium contamination in soil via LIBS

Supervised machine learning methods have demonstrated increased utility for the quantification of lanthanide and actinide elements in atomic spectroscopy applications. This study implements laser-induced breakdown spectroscopy (LIBS) for the identification of plutonium surrogate material (CeO 2 ) in soil matrices by training supervised machine learning methods on the recorded spectral data. A bagged ensemble using Random Forest yields the highest sensitivity predictions with a detection limit of 0.015 wt.% CeO 2 . However, high precision in Ce content prediction required the use of a stacked ensemble regression, which provided the superlative Ce quantification model with an error of 0.107% and a detection limit of 0.022 wt.%. Furthermore, the high performance of the stacked ensemble demonstrates its potential to enhance the accuracy and sensitivity of nuclear contaminant detection using field-deployable spectroscopic analyzers in real-world scenarios.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Update on Nuclear Energy Projects and Plans in Ukraine (Meeting Report)

Following the 1986 disastrous accident at Chernobyl, gaining independence following the fall of the former Soviet Union, two revolutions, and on-going Russian intervention, Ukrainea is seeking to expand its use of commercial nuclear energy and to further reduce its dependence on Russia for energy. Nuclear energy in Ukraine has made a significant contribution toward achieving sustainable development and social goals. Ukraine is very vulnerable to the effects of climate change and nuclear is a cornerstone of the country’s effort to combat the effects. With broad support from the U.S. government, Ukraine is cooperating with the U.S. on fresh nuclear fuel supply, civilian nuclear security, outage optimization, spent fuel storage, and future nuclear technology. And is looking to tap U.S. expertise on plant management, and electric grid operations and expansion. NEIc hosted this virtual event to provide an update on nuclear energy projects and plans in Ukraine. Featured speakers included Yaroslav Demchenkov, Deputy Minister of Energy, Taras Kachka, Deputy Minister – Trade Representative, Petro Kotin, CEO, Energoatom,d and Ann K. Ganzer, Senior Bureau Official, Bureau of International Security and Nonproliferation, U.S. Dept. of State. Maria Korsnick, NEI CEO, moderated the discussion. About forty individuals attended representing the Ukraine and U.S. governments, and U.S. suppliers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

The False Dilemma: Rethinking AF Science and Technology Officer Talent Management

In 2019, Secretary of the Air Force (SECAF) Heather Wilson launched the 2030 Science and Technology (S&T) Strategy by stating, “The advantage will go to those who create the best technologies and who integrate and field them in creative operational ways that provide military advantages.” In 2021, 15% of Air Force general officers responsible for creating and integrating this technological edge had a science, technology, engineering, and math (STEM) graduate degree, and less than 1% of generals had a STEM doctorate. As one point of comparison, at least 32% and 13% of founding CEOs of Fortune 500 technology companies had a master’s and doctoral STEM degree, respectively. The gulf is larger when you consider that these CEOs used their technical degrees throughout their careers whereas most general officers do not. In large organizations, if the leader does not possess technical knowledge, it is difficult to drive innovation systems and connect ideas to reality. The evidence for this disconnect is abundant in acquisition challenges for high-tech systems, significant pushback to the “revolution in military affairs”, and failure of the “Third Offset” to take hold and deliver capabilities to offset Chinese and Russian capabilities. Indeed, when the former Air Force and Space Force Chief Software Officer, Nicolas M. Chaillan, offered his resignation, one of the main reasons for leaving was “the failure of OSD and the Joint Staff to deliver on their own alleged top ‘priority’, JADC2 – they couldn’t ‘walk the walk.’” Senior leaders have recognized this disconnect, and several inquiries and studies regarding STEM competency have been conducted. Many have posed a false dilemma: a large, STEM-cognizant or small, STEM-expert force. However, current and future STEM human capital needs are managed at the unit and functional area level. This leads to “silos” and the tactical “needs of the present” dominating the strategic “needs of the future”, highlighted by only two functional areas systematically tracking future STEM needs. Therefore, the decision on force structure appears to have been historically made by default through these and other perceived structural realities, and a vast majority of recommendations have focused on the small STEM community – an exercise in diminishing returns. In essence, the solution often boils down to finding unicorns – officers that have chartered the unforgiving pathway through the traditional “gates” to general officer while obtaining sufficient STEM proficiency along the way. Fortunately for the Air Force, these officers exist, albeit at a rate below what the evidence would suggest is necessary. However, this approach fundamentally limits the ability to develop a deep pool of officers with the ability to create and integrate technologies and ensures the Dunning-Kruger effect is prevalent. The Dunning-Kruger effect is a cognitive bias where those with limited knowledge in an area lack the expertise necessary to recognize their lack of expertise and consequently are prone to overestimate their knowledge and performance. In short, we need less leaders overestimating their STEM knowledge and more with hard-earned STEM competency required to “walk the walk” to create and integrate technologies for military advantage. This will not be accomplished by restricting the emphasis to the traditional scientists and engineering (S&E) career fields – the pool, only 10% of line officers, and general officer progression is just too small. Fortunately, the recent SECAF’s Management Initiatives and Chief of Staff’s (CSAF) Action Orders, both containing emphasis on organic expertise to “accrue advantage in military-technological competition,” present an opportunity to truly develop a framework for the force of the future.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

A Study of Support Effects for the Water-Gas-Shift Reaction over Cu

The water–gas-shift (WGS) reaction was studied on a series of supported Cu catalysts in which the MgAl 2 O 4 (MAO) support was modified by depositing ZnO, CeO 2 , Mn2O 3 and CoO using Atomic Layer Deposition (ALD). Addition of Cu by one ALD cycle gave rise to catalysts with nominally 1-wt% Cu. A 1.1-wt% Cu/MAO catalyst prepared by ALD exhibited twice the dispersion but ten times the WGS activity of a 1-wt% Cu/MAO catalyst prepared by impregnation, implying that the reaction is structure sensitive. However, Cu catalysts prepared with the ZnO, CeO 2 , and Mn 2 O 3 films showed negligible differences from that of the Cu/MAO catalyst, implying that these oxides did not promote the reaction. Cu catalysts prepared on the CoO film showed a slightly lower activity, possibly due to alloy formation. The implications of these results for the development of better WGS catalysts is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

High Pressure Brillouin Spectroscopy and X-ray Diffraction of Cerium Dioxide

Simultaneous high-pressure Brillouin spectroscopy and powder X-ray diffraction of cerium dioxide powders are presented at room temperature to a pressure of 45 GPa. Micro- and nanocrystalline powders are studied and the density, acoustic velocities and elastic moduli determined. In contrast to recent reports of anomalous compressibility and strength in nanocrystalline cerium dioxide, the acoustic velocities are found to be insensitive to grain size and enhanced strength is not observed in nanocrystalline CeO 2 . Discrepancies in the bulk moduli derived from Brillouin and powder X-ray diffraction studies suggest that the properties of CeO 2 are sensitive to the hydrostaticity of its environment. Our Brillouin data give the shear modulus, G 0 = 63 (3) GPa, and adiabatic bulk modulus, K S0 = 142 (9) GPa, which is considerably lower than the isothermal bulk modulus, K T0 ~ 230 GPa, determined by high-pressure X-ray diffraction experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Freewheeling: What Six Locations, 61,000 Trips, and 242,000 Miles in Colorado Reveal About How E-Bikes Improve Mobility Options

E-bikes have been quickly growing in popularity in recent years. Access to e-bikes poses an opportunity to improve mobility options as a comparatively inexpensive yet similarly convenient alternative to car ownership. This study focuses on the outcomes of the CanBikeCO program developed by the Colorado Energy Office (CEO) that provided e-bikes to low-income users in sites across Colorado. This is the first large-scale, longitudinal evaluation of how privately-owned e-bikes are used, revealing energy, emissions, and behavior implications. The evaluation indicates that e-bikes primarily replaced driving alone. They were primarily used to access employment opportunities, although their use spanned the spectrum of mobility needs. They were popular among low-income, disadvantaged participants, with the greatest usage in the < $25,000 income bracket and by those who did not have access to a household vehicle. They have similar proportions to driving alone and shared rides for trips under 5 miles, so are a viable alternative for the majority of trips in the United States. Finally, they are competitive with cars in the number of destinations that can be reached in a given time, especially in urban cores and areas with good bicycling infrastructure. Analysis of the CanBikeCO pilot program revealed that e-bikes are a viable alternative to larger motorized modes, particularly for disadvantaged communities who may not have a variety of other mobility options. With supporting land use and infrastructure, their high energy efficiency can support substantial energy and emissions impacts due to mode shift, even in smaller communities. We will expand on these themes in a comprehensive paper to be released later this year.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

The CanBikeCO Full Pilot: Long-Term Results and Analysis

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

DOE OSTI2023

Materials Design Directions for Solar Thermochemical Water Splitting

The sustainable, economical production of molecular hydrogen is a crucial component of a net zero-greenhouse-gas-emissions future. Solar thermochemical water splitting (STWS) offers a renewable route to hydrogen with the potential to help decarbonize several industries, including transportation, manufacturing, mining, metals processing, and electricity generation, as well as provide sustainable hydrogen as a chemical feedstock. STWS uses high temperatures generated from concentrated sunlight or other sustainable means for high-temperature heat to produce hydrogen and oxygen from steam. For example, in its simplest form of a two-step thermochemical cycle, a redox-active metal oxide is heated to ≈1700-2000 K, driving off molecular oxygen while producing oxygen vacancies in the material. The reduced metal oxide then cools (ideally with the extracted heat recuperated for re-use) and, in a separate step, comes into contact with steam, which reacts with oxygen vacancies to produce molecular hydrogen while recovering the original state of the metal oxide. Despite its promising use of the entire solar spectrum to split water thermochemically, the current estimated cost of hydrogen produced via STWS is ≈4-6× the U.S. Department of Energy (DOE) Hydrogen Shot target value of $1/kg. One contributing approach to bridging this cost gap is the design of new materials with improved thermodynamic properties to enable higher efficiencies. The state-of-the-art (SOA) redox-active metal oxide for STWS is ceria (CeO 2 ), due to its close to optimal, although too high, oxygen vacancy formation enthalpy and large configurational and electronic entropy of reduction. However, ceria requires high operating temperatures and its efficiency is insufficient. Therefore, efforts to increase the efficiency of STWS cycles have focused on further optimizing oxygen vacancy formation enthalpies and augmenting the reduction entropy via substitution or doping and materials discovery schemes. Examples of the latter include the perovskites BaCe 0.25 Mn 0.75 O 3 and (Ca,Ce)(Ti,Mn)O 3 . These efforts and others have revealed intuitive chemical principles for the efficient and systematic design of more effective materials, such as the strong correlation between the enthalpies of crystal bond dissociation and solid-state cation reduction with the enthalpy of oxygen vacancy formation, as well as configurational entropy augmentation via the coexistence of two or more redox-active cation sublattices. The purpose of this chapter is to prepare the reader with an up-to-date account of STWS redox-active materials, both the SOA and promising newcomers, as well as to provide chemically intuitive strategies for improving their cycle efficiencies through materials design – in conjunction with ongoing efforts in reactor engineering and gas separations – to reach the cost points for commercial viability. First, we will introduce the thermodynamics of STWS using a two-step, metal-oxide, thermochemical cycle with economics in mind. We also will compare the pros and cons of processes that do or do not involve phase changes. Second, we will describe the qualities that make ceria the SOA STWS redox-active material, as well as its limitations. Third, we will survey some of the most promising candidates to date in the search for materials to supplant ceria, emphasizing the post-ternary, metal-oxide-perovskite alloys. Lastly, we will enumerate and discuss the following materials design directions for STWS redox-active materials: crystal reduction potentials as a proxy for oxygen vacancy formation enthalpies, engineering the electronic and configurational entropy of reduction via f-shells and simultaneous redox, and vetting materials stability via temperature-dependent phase diagrams and melting-point prediction.

08 HYDROGEN↗

DOE OSTI2024

A General Approach for Metal Nanoparticle Encapsulation Within Porous Oxides

Abstract Encapsulation of metal nanoparticles within oxide materials has been shown as an effective strategy to improve activity, selectivity, and stability in several catalytic applications. Several approaches have been proposed to encapsulate nanoparticles, such as forming core‐shell structures, growing ordered structures (zeolites or metal‐organic frameworks) on nanoparticles, or directly depositing support materials on nanoparticles. Here, a general nanocasting method is demonstrated that can produce diverse encapsulated metal@oxide structures with different compositions (Pt, Pd, Rh) and multiple types of oxides (Al 2 O 3 , Al 2 O 3 ‐CeO 2 , ZrO 2 , ZnZrO x , In 2 O 3 , Mn 2 O 3 , TiO 2 ) while controlling the size and dispersion of nanoparticles and the porous structure of the oxide. Metal@polymer structures are first prepared, and then the oxide precursor is infiltrated into such structures and the resulting material is calcined to form the metal@oxide structures. Most Pt@oxides catalysts show similar catalytic activity, demonstrating the availability of surface Pt sites in the encapsulated structures. However, the Pt@Mn 2 O 3 sample showed much higher CO oxidation activity, while also being stable under aging conditions. This work demonstrated a robust nanocasting method to synthesize metal@oxide structures, which can be utilized in catalysis to finely tune metal‐oxide interfaces.

Zhou, Chengshuang↗

DOE OSTI2022

The Role of Oxygen Transfer in Oxide Heterostructures on Functional Properties

A variety of mechanisms are reported to play critical roles in contributing to the high carrier/electron mobility in oxide/SrTiO 3 (STO) heterostructures. By using La 0.95 Sr 0.05 TiO 3 (LSTO) epitaxially grown on different single crystal substrates (such as STO, GdScO 3 , LaAlO 3 , (LaAlO 3 ) 0.3 (Sr 2 AlTaO 6 ) 0.7 , and CeO 2 buffered STO) as the model systems, the formation of a conducting substrate surface layer (CSSL) on STO substrate is shown at relatively low growth temperature and high oxygen pressure (725 °C, 5 × 10 –4 Torr), which contributes to the enhanced conductivity of the LSTO/STO heterostructures. Different from the conventional oxygen vacancy model, this work reveals that the formation of the CSSL occurs when growing an oxide layer (LSTO in this case) on STO, while neither annealing nor the growth of an Au layer alone at the exact same growth condition generates the CSSL in STO. It demonstrates that the oxide layer actively pulls oxygen from STO substrate at given growth conditions, leading to the formation of the CSSL. Here, the observations emphasize the oxygen transfer across film/substrate interface during the synthesis of oxide heterostructures playing a critical role in functional properties.

36 MATERIALS SCIENCE↗