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At least 289 records · Page 16

Multicomponent, Rare-Earth-Doped Thermal-Barrier Coatings

Multicomponent, rare-earth-doped, perovskite-type thermal-barrier coating materials have been developed in an effort to obtain lower thermal conductivity, greater phase stability, and greater high-temperature capability, relative to those of the prior thermal-barrier coating material of choice, which is yttria-partially stabilized zirconia. As used here, "thermal-barrier coatings" (TBCs) denotes thin ceramic layers used to insulate air-cooled metallic components of heat engines (e.g., gas turbines) from hot gases. These layers are generally fabricated by plasma spraying or physical vapor deposition of the TBC materials onto the metal components. A TBC as deposited has some porosity, which is desirable in that it reduces the thermal conductivity below the intrinsic thermal conductivity of the fully dense form of the material. Undesirably, the thermal conductivity gradually increases because the porosity gradually decreases as a consequence of sintering during high-temperature service. Because of these and other considerations such as phase transformations, the maximum allowable service temperature for yttria-partially stabilized zirconia TBCs lies in the range of about 1,200 to 1,300 C. In contrast, the present multicomponent, rare-earth-doped, perovskite-type TBCs can withstand higher temperatures.

Miller, Robert A.↗

Growth and Characteristics of Type-II InAs/GaSb Superlattice-Based Detectors

We report on growth and device performance of infrared photodetectors based on type II InAs/Ga(In)Sb strain layer superlattices (SLs) using the complementary barrier infrared detector (CBIRD) design. The unipolar barriers on either side of the absorber in the CBIRD design in combination with the type-II InAs/GaSb superlattice material system are expected to outperform traditional III-V LWIR imaging technologies and offer significant advantages over the conventional II-VI material based FPAs. The innovative design of CBIRDS, low defect density material growth, and robust fabrication processes have resulted in the development of high performance long wave infrared (LWIR) focal plane arrays at JPL.

superlattice↗

Band Engineering, Growth and Characteristics of Type-II InAs/GaSb Superlattice-Based Detectors

We report on band engineering, growth and device performance of infrared photodetectors based on type II InAs/Ga(In)Sb strain layer superlattices (SLs) using the complementary barrier infrared detector (CBIRD) design. The unipolar barriers on either side of the absorber in the CBIRD design in combination with the type-II InAs/GaSb superlattice material system are expected to outperform traditional III-V LWIR (Long-Wave InfraRed) imaging technologies and offer significant advantages over the conventional II-VI material based FPAs (Focal Plane Arrays). The innovative design of CBIRDS, barrier and band offset engineering , low defect density material growth, and robust fabrication processes have resulted in the development of high performance long wave infrared (LWIR) focal plane arrays at JPL (Jet Propulsion Laboratory).

Khoshakhlagh, A.↗

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

An Overview of Experiments and Modeling of Polysiloxane-Coated Thermal Protection Systems for Missions to Mars, Titan, and Beyond.

Phenolic Impregnated Carbon Ablator (PICA) gained heritage during the historic Stardust mission, where it successfully returned samples from a comet’s tail and has since been instrumental in delivering payloads to the surface of Mars [1-3]. Most recently, PICA enabled the safe return of samples collected from asteroid Bennu as part of the OSIRIS-REx mission. This rich legacy underscores PICA’s critical role in allowing NASA’s most ambitious exploration missions. However, the friable nature of its phenolic phase presents challenges during handling and pre-launch activities. To mitigate this issue, PICA is coated with a polysiloxane resin system, which serves to suppress particulate dispersion and thereby safeguard spacecraft components. A comprehensive understanding of the polysiloxane resin’s behavior is imperative, as it profoundly shapes the material response of PICA during atmospheric entry by influencing its thermal and oxidative stability. This influence extends to thermocouple plugs embedded within thermal protection systems. These plugs have demonstrated their significance in missions such as Mars Science Laboratory (MSL) and Mars 2020, where the MEDLI and MEDLI2 instrumentation suites delivered in-valuable insights into the performance of thermal protection systems during entry into the Martian atmosphere [4]. Looking ahead, missions such as Dragonfly, set to descend into Titan’s dense atmosphere, aim to leverage advanced sensor technologies to further refine our understanding of thermal protection response [5]. Moreover, thermocouple plugs play an essential role in validating cutting-edge material response models, such as those pioneered under NASA’s Entry Systems Modeling Project (ESM), designed, in-part, to predict the operational integrity of thermal protection systems under the extreme stresses of atmospheric entry. To achieve these modeling goals, ground-based experiments are crucial to provide the foundational data necessary for developing and refining these predictive tools. To this end, an extensive test campaign was conducted at the Hypersonic Materials Environmental Test System (HyMETS) to investigate the high-temperature behavior of the polysiloxane resin in an air environment [6]. These experiments revealed critical phenomena, including the formation of a silicon oxycarbide layer that enhances oxidation resistance, moderates surface temperatures, and alters in-depth thermal response. Building on these findings, subsequent tests were designed to simulate atmospheric entry conditions in reactive gases, such as CO2 and N2, to mimic the environments of Mars and Titan, respectively, as well as non-reactive gases representing the atmospheres of the Ice Giants (Neptune and Uranus). A heating rate dependent decomposition mechanism has been identified for the polysiloxane resin under oxidizing conditions (Fig. 1). In the initial stage, the resin and the underlying thermal protection system undergo pyrolysis, rapidly generating a thin amorphous silicon oxycarbide interwoven with carbonaceous char and residual fibers from PICA. During the second stage, the nascent oxide layer establishes a robust, oxidation-resistant thermal barrier coating, which significantly impedes heat transfer to the underlying carbonaceous char, resulting in a stagnation of the surface temperature. A key factor contributing to this thermal resistance is the low recombination efficiency of atomic oxygen (γ), which further diminishes the heat load on the material’s interior layers [7]. Moreover, as the surface temperature stagnates, the silicon oxycarbide phase separates into distinct regions of silica and free graphite. Ultimately, when the heat flux reaches a critical threshold, a third stage is triggered, leading to the breakdown of the coating through carbothermal reduction, exposing the underlying char layer. This exposure leads to a dramatic surface temperature spike, driven by highly exothermic reactions between atomic oxygen and the char layer, further accelerating material degradation. A detailed mass and heat transfer model of PICA coated with polysiloxane resin was implemented in the Porous material Analysis Toolbox based on OpenFOAM, PATO [8]. The initial stage was considered negligible in this model because the resin decomposition occurs rapidly within a thin surface layer. Instead, the coating was directly considered as an oxygen-resistant thermal barrier coating. For the second stage, the thin amorphous silicon oxycarbide was treated as a pure silica surface to simplify the thermochemical behavior. The model ac-counts for surface equilibrium processes using representative elements of the coating-environment system. For the third stage, specific boundary conditions were developed to estimate the onset and progression of the coating removal. Two-dimensional material response simulations were conducted to compare uncoated and coated PICA using boundary conditions calibrated with HyMETS data. Fig. 2 illustrates that the simulations closely align with experimental data, successfully reproducing measured temperature profiles. This work will include the latest advancements in the coating model, including the calibration of recombination of atomic oxygen at the surface during the second phase. These simulated results will be further validated against additional CO2 data points from HyMETS, reinforcing the models’ predictive capabilities. These mechanisms and their effects on thermal protection systems, including thermochemical behavior and thermocouple probe performance in extreme environments, provide crucial insights for optimizing spacecraft designs that safeguard scientific payload and ensure mission success in future planetary exploration endeavors.

Active Oxidation↗

Rocket Motor Joint Construction Including Thermal Barrier

A thermal barrier for extremely high temperature applications consists of a carbon fiber core and one or more layers of braided carbon fibers surrounding the core. The thermal barrier is preferably a large diameter ring, having a relatively small cross-section. The thermal barrier is particularly suited for use as part of a joint structure in solid rocket motor casings to protect low temperature elements such as the primary and secondary elastomeric O-ring seals therein from high temperature gases of the rocket motor. The thermal barrier exhibits adequate porosity to allow pressure to reach the radially outward disposed O-ring seals allowing them to seat and perform the primary sealing function. The thermal barrier is disposed in a cavity or groove in the casing joint, between the hot propulsion gases interior of the rocket motor and primary and secondary O-ring seals. The characteristics of the thermal barrier may be enhanced in different applications by the inclusion of certain compounds in the casing joint, by the inclusion of RTV sealant or similar materials at the site of the thermal barrier, and/or by the incorporation of a metal core or plurality of metal braids within the carbon braid in the thermal barrier structure.

Steinetz, Bruce M.↗

Effect of Networking Density on the Patterning Performance of Molecular Layer Deposited Alucone Electron Beam/EUV Resists

One of the main barriers to continued device scaling in the era of extreme ultraviolet (EUV) lithography is the need for improved photoresist chemistries to address challenges such as poor EUV sensitivity, inadequate etch resistance, and pattern collapse. Metal-organic photoresists are a promising class of materials that can address many of these challenges, and among them, resists deposited via hybrid molecular layer deposition (MLD) have attracted interest for their unique advantages in thickness control, chemical homogeneity, and compatibility with vacuum processing. However, despite many successful demonstrations of patterning, little is known about how the molecular design of hybrid MLD resists affects their lithographic performance. In this work, we study the effect of the network structure, a common feature among all hybrid MLD resists, via a series of aluminum alkoxide ("alucone") negative tone resists with varying networking density. Their patterning mechanism is investigated via electron beam lithography (EBL)─a common proxy for EUV─and compared to their EUV-induced reactions studied via flood exposure and in situ characterization. In conclusion, we show that the resist with the least networking density demonstrates the best sensitivity and resolution, with the ability to resolve dense line/space gratings as small as 14 nm half pitch via EBL.

electron beam lithography↗

Toward the optimization of control of unsteady separation

Regardless of our understanding of the complicated physical process, means can always be found to alter the occurrence and development of unsteady separation. To be able to optimize the control of separation, however, requires the identification of the critical aspects to which the intervention may be focused and achieve the desired result with minimum waste of effort. The Lagrangian analysis of unsteady boundary-layer traces the trajectories of individual fluid particles and reveals the 'bad seeds' that, through extreme deformation in the direction normal to the wall, eventually develop into a virtual barrier and cause the ejection of boundary-layer material into the main stream. It follows logically that separation can be triggered or delayed most effectively by targeting these 'bad seeds.' Since they are normally interior points of the boundary layer, attempts to influence them through the boundary conditions are necessarily indirect. Furthermore, as the strategy has to be the modification of the growing process of the 'bad seeds,' whatever may be the intervention scheme, it needs to be strong enough and early enough. In Shen and Wu, examples of how acceleration/deceleration of the two dimensional body, as well as the moving wall of a rotating cylinder, may affect the development of the bad seed toward separation are shown. In fact it was mentioned therein that the results might be the first step for a feasibility study of the control of unsteady separation. Presented are additional results of applying suction to an impulsively started circular cylinder.

Shen, S. F.↗

Heat-barrier coatings for combustion chambers

Arc-plasma-sprayed layered coating of graded Inconel and zirconia protects film-coolant ring below injector plate of rocket engine combustion chamber. Interfacial temperature is designed for minimum buildup of stress and to avoid melting of the metal phase in the graded layers.

Carpenter, H. W.↗

NASA thermal barrier coatings: Summary and update

A durable, two-layer, plasma-sprayed coating consisting of a ceramic layer over a metallic layer was developed that has the potential of insulating hot engine parts and thereby reducing metal temperatures and coolant flow requirements and/or permitting use of less costly and complex cooling configurations and materials. The results are summarized of analytical and experimental investigations of the coatings on flat metal specimens, turbine vanes and blades, and combustor liners. Discussed are results of investigations to determine coating adherence and durability, coating thermal, strength and fatigue properties, and chemical reactions of the coating with oxides and sulfates. Also presented are the effect of the coating on aerodynamic performance of a turbine vane, measured vane and combustor liner temperatures with and without the coating, and predicted turbine metal temperatures and coolant flow reductions potentially possible with the coating. Included also are summaries of some current research related to the coating and potential applications for the coating.

Stepka, F. S.↗

Thermal barrier coating life prediction model development

The objective of this program is to establish a methodology to predict Thermal Barrier Coating (TBC) life on gas turbine engine components. The approach involves experimental life measurement coupled with analytical modeling of relevant degradation modes. The coating being studied is a flight qualified two layer system, designated PWA 264, consisting of a nominal ten mil layer of seven percent yttria partially stabilized zirconia plasma deposited over a nominal five mil layer of low pressure plasma deposited NiCoCrAlY. Thermal barrier coating degradation modes being investigated include: thermomechanical fatigue, oxidation, erosion, hot corrosion, and foreign object damage.

Demasi, J. T.↗

Complementary Barrier Infrared Detector

The complementary barrier infrared detector (CBIRD) is designed to eliminate the major dark current sources in the superlattice infrared detector. The concept can also be applied to bulk semiconductor- based infrared detectors. CBIRD uses two different types of specially designed barriers: an electron barrier that blocks electrons but not holes, and a hole barrier that blocks holes but not electrons. The CBIRD structure consists of an n-contact, a hole barrier, an absorber, an electron barrier, and a p-contact. The barriers are placed at the contact-absorber junctions where, in a conventional p-i-n detector structure, there normally are depletion regions that produce generation-recombination (GR) dark currents due to Shockley-Read- Hall (SRH) processes. The wider-bandgap complementary barriers suppress G-R dark current. The barriers also block diffusion dark currents generated in the diffusion wings in the neutral regions. In addition, the wider gap barriers serve to reduce tunneling dark currents. In the case of a superlattice-based absorber, the superlattice itself can be designed to suppress dark currents due to Auger processes. At the same time, the barriers actually help to enhance the collection of photo-generated carriers by deflecting the photo-carriers that are diffusing in the wrong direction (i.e., away from collectors) and redirecting them toward the collecting contacts. The contact layers are made from materials with narrower bandgaps than the barriers. This allows good ohmic contacts to be made, resulting in lower contact resistances. Previously, THALES Research and Technology (France) demonstrated detectors with bulk InAsSb (specifically InAs0.91Sb0.09) absorber lattice-matched to GaSb substrates. The absorber is surrounded by two wider bandgap layers designed to minimize impedance to photocurrent flow. The wide bandgap materials also serve as contacts. The cutoff wavelength of the InAsSb absorber is fixed. CBIRD may be considered as a modified version of the THALES double heterostructure (DH) p-i-n device, but with even wider bandgap barriers inserted at the contact layer/absorber layer interfaces. It is designed to work with either bulk semiconductors or superlattices as the absorber material. The superlattice bandgap can be adjusted to match the desired absorption cutoff wavelength. This infrared detector has the potential of high-sensitivity operation at higher operating temperatures. This would reduce cooling requirements, thereby reducing the power, mass, and volume of the equipment and allowing an increased mission science return.

Ting, David Z.↗

Enhancing corrosion resistance of lightweight metal alloys through laser shock peening

In this study, we investigated the effects of laser shock peening (LSP) on the corrosion resistance of lightweight metal alloys, specifically AA6061 and AZ31. LSP was performed underwater, using a nanosecond pulse laser and without using a protective coating or layer on the workpiece. The corrosion behaviors of these alloys were analyzed through electrochemical tests, including open circuit potential, electrochemical impedance spectroscopy, and potentiodynamic polarization measurements. The results demonstrated that LSP significantly improved the polarization resistance, and higher laser power intensities led to increased corrosion resistance and reduced corrosion rates. This enhancement in anti-corrosion performance is attributed to the formation of a protective oxide layer on the surface, acting as a barrier against corrosion. In conclusion, the findings underscore the potential of laser surface treatment as a viable technique for enhancing the corrosion resistance of lightweight metal alloys.

36 MATERIALS SCIENCE↗

Planar doped barrier subharmonic mixers

The Planar Doped Barrier (PDB) diode is a device consisting of a p(+) doping spike between two intrinsic layers and n(+) ohmic contacts. This device has the advantages of controllable barrier height, diode capacitance and forward to reverse current ratio. A symmetrically designed PDB has an anti-symmetric current vs. voltage characteristic and is ideal for use as millimeter wave subharmonic mixers. We have fabricated such devices with barrier heights of 0.3, 0.5 and 0.7 volts from GaAs and InGaAs using a multijunction honeycomb structure with junction diameters between one and ten microns. Initial RF measurements are encouraging. The 0.7 volt barrier height 4 micron GaAs devices were tested as subharmonic mixers at 202 GHz with an IF frequency of 1 GHz and had 18 dB of conversion loss. The estimated mismatch loss was 7 dB and was due to higher diode capacitance. The LO frequency was 100.5 GHz and the pump power was 8 mW.

Lee, T. H.↗

Ultrafast Oxygen Conduction in Sillén Oxychlorides

Oxygen ion conductors are crucial for enhancing the efficiency of various clean energy technologies, including fuel cells, solid oxide air batteries, electrolyzers, membranes, sensors, and more. In this study, a structure-similarity analysis of ≈62k oxygen-containing compounds identified the MBi 2 O 4 X (M = rare-earth element, X = halogen element) family as promising candidates for fast oxygen transport. Among these, LaBi 2 O 4 Cl is found as an ultrafast oxygen conductor with an ultralow migration barrier of 0.1 eV based on ab initio studies. Its 2D layered structure, featuring a “triple fluorite” layer, supports diffusion of both oxygen vacancies and interstitials. In addition to vacancy diffusion with a 0.1 eV barrier, ab initio studies show interstitial diffusion exhibits a modest barrier of 0.6–0.8 eV. Frenkel pairs are found to be the dominant defects in intrinsic LaBi 2 O 4 Cl, facilitating significant vacancy-mediated oxygen diffusion at elevated temperatures. With 2.8% oxygen vacancies, LaBi 2 O 4 Cl is predicted to achieve a conductivity of 0.3 S/cm at 25 °C in a single crystal. Experimental synthesis and characterization of polycrystalline LaBi 2 O 4 Cl and Sr-doped LaBi 2 O 4 Cl revealed conductivity exceeding that of YSZ and LSGM below 400 °C, with lower activation energies, achieving a total conductivity of 0.1−0.2 mS/cm at 300 °C. Here, while these results confirm its potential of fast oxygen transport, we suggest further experimental optimization of LaBi 2 O 4 Cl, including aliovalent doping and microstructure refinement, could significantly enhance its performance, facilitating fast oxygen conduction approaching room temperature.

Defects↗

Progress in InAs/InAsSb Superlattice Barrier Infrared Detectors

The InAs/InAsSb (Gallium-free) type-II strained-layer superlattice (T2SLS) has emerged in recent years as a viable infrared detector material. In particular, mid-wavelength InAs/InAsSb T2SLS focal plane array (FPA) based on the nBn detector architecture exhibits good operating characteristics at 160 K, demonstrating a considerably operating temperature advantage over InSb FPAs. In the long and very long cutoff wavelengths, InAs/InAsSb T2SLS detectors with n-type absorbers are limited in their attainable quantum efficiency (QE) due to shorter hole diffusion lengths and relatively modest absorption coefficients. We have explored long and very long wavelength InAs/InAsSb T2SLS complementary barrier infrared detectors (CBIRDs) that contain p-type absorber layers in order to take advantage of the longer electron diffusion length for QE enhancement. We also discuss recent development of the InAs/InAsSb T2SLS infrared detectors at the Jet Propulsion Laboratory for NASA Earth Science applications, including long-wavelength infrared FPAs for land imaging, and mid-wavelength infrared FPAs for CubeSat hyperspectral imaging.

Pagano, Thomas S.↗

Direct Deoxygenation of Phenol over Fe-Based Bimetallic Surfaces Using On-the-Fly Surrogate Models

We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regression (GPR) calculator. Our test calculations demonstrate that the GPR calculator achieves up to 3 times speedup compared to conventional density functional theory calculations while maintaining high accuracy, with energy barrier errors below 0.015 eV. Using GPR-NEB, we systematically examine the DDO mechanism on pure Fe(110) and surfaces modified with Co and Ni in both top and subsurface layers. Our results show that subsurface Co and Ni substitutions preserve favorable thermodynamics and kinetics for both C–O bond cleavage and C–H bond formation, comparable to those on the pure Fe(110) surface. In contrast, top-layer substitutions generally increase the C–O bond cleavage barrier, render the step endothermic, and result in significantly higher reverse reaction rates, making DDO unfavorable on these surfaces. This work demonstrates the effectiveness of GRR-accelerated transition state searches for complex surface reactions and provides insights into rational design of bimetallic catalysts for selective deoxygenation.

Aromatic compounds↗