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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 901 records · Page 50

Impact of Individual Structural Defects in GaAs Solar Cells: A Correlative and In Operando Investigation of Signatures, Structures, and Effects

Defects usually degrade device performance. Thus, many techniques and effort are devoted to studying semiconductor defects. However, it is rarely known: i) how individual defects affect device performance; ii) how the impact depends on the device operating conditions; iii) how the impact varies from one defect to another; and iv) how these variations are correlated to the microscopic-scale defect structure. To address these crucial questions, an array of correlative and spatially resolved techniques, including electroluminescence, photoluminescence, Raman, I–V characteristics, and high-resolution electron microscopy, are used to characterize dislocation defects in GaAs solar cells. Significantly, the study is carried out in a series mode and in operando. This approach provides quantitative and definitive correlation between the atomistic structure of defects and their explicit effects on device performance, thus giving unprecedented insight into defect physics.

dislocation defects↗

Review on Perovskite Solar Cells: From Single‐Junction Devices to Tandem Deployment in Space

Perovskite solar cells (PSCs) have emerged as a transformative photovoltaic technology, offering high power conversion efficiency (PCE) and the potential for cost-effective manufacturing. However, stability and large-scale manufacturing remain critical challenges that must be addressed for widespread adoption. This review provides a roadmap from single-junction perovskite solar cells to tandem deployment in space. First, material-level innovations are discussed, including mixed-cation and low-dimensional perovskites, transport materials, and additives that improve thermal and structural stability while enhancing efficiency. Then, we examine both established industrial standards and emerging scientific protocols aimed at stabilizing PSCs under operational conditions, including tandem cell integration strategies and encapsulation techniques to mitigate performance degradation. Manufacturing scalability is a focal point, where deposition methods and green solvents are explored to improve large-area film uniformity and reduce environmental impact. Additionally, the increasing viability of PSCs in extraterrestrial environments is assessed, with emphasis on their performance in space applications, radiation resistance, and flexible lamination methods for deployment in extreme conditions. Progress across materials innovation, device architectures, stability testing protocols, and both terrestrial and extraterrestrial applications collectively drives perovskite photovoltaics toward higher efficiency, stability, and cost-effectiveness.

flexible PSCs↗

Quantifying Losses and Assessing the Photovoltage Limits in Metal–Insulator–Semiconductor Water Splitting Systems

Metal–insulator–semiconductor (MIS) photo-electrocatalysts offer a pathway to stable and efficient solar water splitting. Initially motivated as a strategy to protect the underlying semiconductor photoabsorber from harsh operating conditions, the thickness of the insulator layer in MIS systems has recently been shown to be a critical design parameter which can be tuned to optimize the photovoltage. Here we analyze the underlying mechanism by which the thickness of the insulator layer impacts the performance of MIS photo-electrocatalysts. A concrete example of an Ir/HfO 2 /n-Si MIS system is investigated for the oxygen evolution reaction. The results of combined experiments and modeling suggest that the insulator thickness affects the photovoltage i) favorably by controlling the flux of charge carriers from the semiconductor to the metal electrocatalyst and ii) adversely by introducing nonidealities such as surface defect states which limit the generated photovoltage. It is important to quantify these different mechanisms and suggest avenues for addressing these nonidealities to enable the rational design of MIS systems that can approach the fundamental photovoltage limits. The analysis described in this contribution as well as the strategy toward optimizing the photovoltage are generalizable to other MIS systems.

36 MATERIALS SCIENCE↗

Nanocomposite Ionogel Electrolytes for Solid‐State Rechargeable Batteries

Abstract Ionogels composed of ionic liquids and gelling solid matrices offer several advantages as solid‐state electrolytes for rechargeable batteries, including safety under diverse operating conditions, favorable electrochemical and thermal properties, and wide processing compatibility. Among gelling solid matrices, nanoscale materials have shown particular promise due to their ability to concurrently enhance ionogel mechanical properties, thermal stability, ionic conductivity, and electrochemical stability. These beneficial attributes suggest that ionogel electrolytes are not only of interest for incumbent lithium‐ion batteries but also for next‐generation rechargeable battery technologies. Herein, recent advances in nanocomposite ionogel electrolytes are discussed to highlight their advantages as solid‐state electrolytes for rechargeable batteries. By exploring a range of different nanoscale gelling solid matrices, relationships between nanoscale material structure and ionogel properties are developed. Furthermore, key research challenges are delineated to help guide and accelerate the incorporation of nanocomposite ionogel electrolytes in high‐performance solid‐state rechargeable batteries.

Hyun, Woo Jin↗

Monolithic Photoelectrochemical CO 2 Reduction Producing Syngas at 10% Efficiency

We report increasing anthropogenic carbon dioxide emissions have prompted the search for photoelectrochemical (PEC) methods of converting CO 2 to useful commodity products, including fuels. Ideally, such PEC approaches will be sustained using only sunlight, water, and CO 2 as energetic and reactant inputs. However, low peak conversion efficiencies (< 5%) have made commercialization of fully-integrated PEC devices prohibitive. Here, a 4 cm 2 monolithic PEC device exceeding 10% solar-to-fuel efficiency with principal fuel products of carbon monoxide and hydrogen is reported. The corresponding solar-to-CO and solar-to-H 2 efficiencies are 7% and 3.5%, respectively. Screening of a range of operating conditions reveals a tunable product mixture of H 2 and CO using a gold electrocatalyst. Accordingly, it is shown that device optimization yields a H 2 -to-CO ratio of 1:2 commonly present in synthesis gas (syngas). Notably, the modularity and facile fabrication of this device permit the incorporation of a broad array of materials for various applications. For example, the electrocatalyst may easily be swapped to target a different set of products.

36 MATERIALS SCIENCE↗

Disorder Dynamics in Battery Nanoparticles During Phase Transitions Revealed by Operando Single-Particle Diffraction

Structural and ion-ordering phase transitions limit the viability of sodium-ion intercalation materials in grid scale battery storage by reducing their lifetime. However, the combination of phenomena in nanoparticulate electrodes creates complex behavior that is difficult to investigate, especially on the single-nanoparticle scale under operating conditions. In this work, operando single-particle X-ray diffraction (oSP-XRD) is used to observe single-particle rotation, interlayer spacing, and layer misorientation in a functional sodium-ion battery. oSP-XRD is applied to Na 2/3 [Ni 1/3 Mn 2/3 ]O 2 , an archetypal P2-type sodium-ion-positive electrode material with the notorious P2-O2 phase transition induced by sodium (de)intercalation. Here, it is found that during sodium extraction, the misorientation of crystalline layers inside individual particles increases before the layers suddenly align just prior to the P2-O2 transition. The increase in the long-range order coincides with an additional voltage plateau signifying a phase transition prior to the P2-O2 transition. To explain the layer alignment, a model for the phase evolution is proposed that includes a transition from localized to correlated Jahn-Teller distortions. The model is anticipated to guide further characterization and engineering of sodium-ion intercalation materials with P2-O2 type transitions. oSP-XRD, therefore, opens a powerful avenue for revealing complex phase behavior in heterogeneous nanoparticulate systems.

25 ENERGY STORAGE↗

Highly Active and Durable Air Electrodes for Reversible Protonic Ceramic Electrochemical Cells Enabled by an Efficient Bifunctional Catalyst

The commercialization of reversible protonic ceramic electrochemical cells is hindered by the lack of highly active and durable air electrodes exposed to high concentration of steam under operating conditions. We report findings that dramatically enhance the electrocatalytic activity and stability of a conventional (La 0.6 Sr 0.4 ) 0.95 Co 0.2 Fe 0.8 O 3-δ (LSCF) air electrode by a multiphase catalyst coating composed of a conformal Pr 1-x Ba x CoO 3-δ thin film and exsolved BaCoO 3-δ nanoparticles, are reported. At 600 °C, the catalyst coating decreases the polarization resistance of the LSCF air electrode by a factor of 25 (from 1.09 to 0.043 Ω cm 2 ) in air and the degradation rate by two orders of magnitude (from 1.0 × 10 -2 to 1.8 × 10 -4 Ω cm2 h -1 in humidified air with 30 vol% H2O). Further, a single cell with the catalyst-coated LSCF air electrode at 600 °C demonstrates a high peak power density of 1.04 W cm -2 in the fuel cell mode and a high current density of 1.82 A cm -2 at 1.3 V in the electrolysis mode. The significantly enhanced performance of the LSCF air electrode is attributed mainly to the high rate of surface oxygen exchange, fast surface proton diffusion, and the rapid H 2 O and O 2 dissociation on the catalysts.

36 MATERIALS SCIENCE↗

Assessing the Intrinsic Roles of Key Dopant Elements in High–Nickel Layered Oxide Cathodes in Lithium–Based Batteries

A rational compositional design is critical for utilizing LiNiO 2 -based cathodes with Ni contents > 90% as promising next-generation cathode materials. Unfortunately, the lack of a fundamental understanding of the intrinsic roles of key elements, such as cobalt, manganese, and aluminum, makes the rational compositional design of high-Ni cathodes with a limited range of dopants (<10%) particularly challenging. Here, with 5% single-element doped cathodes, viz., LiNi 0.95 Co 0.05 O 2 , LiNi 0.95 Mn 0.05 O 2 , and LiNi 0.95 Al 0.05 O 2 , along with undoped LiNiO 2 (LNO), the influences of the dopants are systematically examined through a control of cutoff charge energy density and a common practice of cutoff charge voltage. Comprehensive investigations into the electrochemical properties, combined with in-depth analyses of the structural and interfasial stabilities and electrolyte decomposition pathways through advanced characterizations, unveil the following: i) the intrinsic role of dopants regulates the cathode energy density or state-of-charge and, more critically, the occurrence of H2–H3 phase transition, which essentially dictates cyclability; ii) undoped LNO can be stabilized well with the avoidance of H2–H3 phase transition; and iii) Co provides more merits overall with an optimized electrochemical operating condition. Finally, this work provides guidance for the compositional design of high-energy-density high-Ni cathodes and sheds light on the challenges of removing Co.

25 ENERGY STORAGE↗

An Active Oxygen Electrode for Proton-Conducting Solid Oxide Electrolysis Cells with High Faradaic Efficiency

Addressing the challenges posed by inferior electrochemical performance at low temperatures and the uncertain Faradaic efficiency (FE) represents a pivotal undertaking in the development of high performance and efficient proton-conducting solid oxide electrolysis cells (P-SOECs). In this work, a novel oxygen electrode material BaCo0.8Zr0.1Zn0.1O3-d (BCZZ) is first designed and synthesized. At 600 °C, P-SOECs with BCZZ oxygen electrode achieve an electrolysis current density of 1.98 A cm-2 with an ˜90% FE at 1.3 V. Utilizing 1-inch P-SOECs as a reliable platform, the effect of extrinsic operating conditions (i.e., steam concentration, voltage, current density, and temperature) and intrinsic properties of P-SOECs (i.e., electrolyte material and electrolyte thickness) on FE are further systemically investigated, both experimentally and theoretically.

08 - HYDROGEN↗

CO 2 absorption intensification using three-dimensional printed dynamic polarity packing in a bench-scale integrated CO 2 capture system

Postcombustion carbon capture using a chemical absorbent is a promising technology to reduce CO 2 emission. However, the overall construction and operating costs remain a major challenge. In order to intensify the absorption process and to reduce these costs, a novel dynamic polarity structured packing (DP packing) with alternate patterns of surface polarity has been developed to enhance local macro-scale turbulence within the advanced viscous solvent to reduce the mass transfer diffusion resistance. Here, three DP structured packings that incorporate multiple polymeric materials were fabricated using three-dimensional printing technique and evaluated through parametric testing using a bench-scale integrated CO 2 capture unit with 76.2 mm ID absorber. At optimized operating conditions, the DP packing showed a relative 22.7% increase in absorption and 20.0% decrease in energy penalty.

60 APPLIED LIFE SCIENCES↗

The influence of random packed column parameters on the liquid holdup and interfacial area

Abstract Carbon dioxide capture via solvent absorption in packed columns has emerged as a potential technology to mitigate coal‐fired power plant CO 2 emissions. Parameters, including packing types, solvent properties, and operating conditions, could potentially affect the packed column CO 2 capture efficiency. To understand the importance of those parameters and help packed column optimization, a design of experiments (DoEs) method was proposed to generate input parameter matrix. Combined with multiphase computational fluid dynamics (CFD), the random packed column parameter influence on the liquid holdup and interfacial area can be efficiently investigated. Surrogate‐based sensitivity analysis shows that the solvent flow rate and contact angle are key factors dictating liquid holdup and interfacial area. On the other hand, solvent viscosity has a marginal impact on the interfacial area. The sensitivity scores were calculated for each input parameter to guide the selection of dimensionless numbers for the liquid holdup and interfacial area correlation development.

42 ENGINEERING↗

Direct air capture with amino acid solvent: Operational optimization using a crossflow air‐liquid contactor

Direct air capture (DAC) is a negative emission technology for removing CO2 from the atmosphere to maintain the CO 2 level within a reasonable range so as to address greenhouse effects. In this study, the operational optimization of lab-scale DAC has been investigated using a crossflow air-liquid contactor loaded with a three dimensionally printed Gyroid packing structure and a potassium sarcosinate solvent. The effects of various parameters, including feed air flow rate, liquid solvent flow rate, contactor geometry, and ambient temperature, are examined. The results demonstrate that the Gyroid packing design achieves comparable CO 2 capture performance to conventional packed beds but with a significantly lower pressure drop of up to 77.8%, suggesting its potential as an efficient and cost-effective solution for gas–liquid contactors in DAC. Additionally, the study explores the climate impact on CO 2 capture performance and finds that as the air temperature increases from 35 to 95°F at a fixed relative humidity of 80%, the CO 2 capture rate increased from 23.2% to 46.8% with better stability. The research highlights the importance of optimizing contactor design and operational conditions to improve the CO 2 capture rate and feasibility of DAC systems as a negative emission technology for addressing greenhouse effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spanning surface interaction length scales for the design of industrial antifouling materials

Fouling of surfaces introduces significant operational and economic challenges in marine and membrane systems. While empirical fouling assays and surface science methodologies have independently introduced fouling resistant methodologies and functionalities within each of these respective application spaces, they remain limited by their inability to extrapolate findings across length scales and inform materials design strategies. This perspective emphasizes the need to bridge the macroscale fouling assays conducted in the marine community and molecular-scale insights obtained from the membranes community. Here, by uniting these approaches, generalized design strategies can be developed across applications, leading to the realization of effective antifouling materials over a wide spectrum of operating conditions and foulant types. Standardized and high-throughput methodologies are proposed as tools to unify research efforts to drive the development of next-generation antifouling coatings and treatments.

fouling assays↗

Sensor selection and tool wear prediction with data‐driven models for precision machining

Abstract Estimation of tool wear in precision machining is vital in the traditional subtractive machining industry to reduce processing cost, improve manufacturing efficiency and product quality. In this vein, fusion of time and frequency‐domain features of commonly sensed signals can provide an early indication of tool wear and improve its prediction accuracy for prognostics and health management. This paper presents a data‐driven methodology and a complete tool chain for the inference of precision machining tool wear from fused machine measurements, such as cutting force, power, audio and vibration signals, and quantify the usefulness of each measurement. Indicators of tool wear are extracted from time‐domain signal statistics, frequency‐domain analysis, and time‐frequency domain analysis. Correlation coefficients between the extracted features (indicators) and the tool wear are used to select the most informative features. Principal Component Analysis and Partial Least‐Squares are used to reduce the dimensionality of the feature space. Regression models, including linear regression, support vector regression, Decision tree regression, neural network regression and Gaussian process regression, are used to predict the tool wear using data from a Haas milling machine performing spiral boss face milling. The performance of the regression models based on subsets of sensors validates the preliminary estimates about the saliency of the sensors. The experimental results show that the proposed methods can predict the machine tool wear precisely, with readily available sensor measurements. Neural network and Gaussian process regression were able to achieve good estimates of tool wear at different machine operating conditions. The most informative signal in predicting tool wear was shown to be the vibration signal. Time‐frequency domain features were the most informative features among the combination of features of three domains. In addition, using partial least squares components extracted from the original features of signals led to higher prediction accuracy.

Han, Seulki↗

Observation of Ion Electrosorption in Metal–Organic Framework Micropores with In Operando Small-Angle Neutron Scattering

A molecular-level understanding of transport and adsorption mechanisms of electrolyte ions in nanoporous electrodes under applied potentials is essential to control the performance of double-layer capacitors. In this paper, in operando small-angle neutron scattering (SANS) is used to directly detect ion movements into the nanopores of a conductive metal–organic framework (MOF) electrode under operating conditions. Neutron-scattering data reveals that most of the void space within the MOF is accessible to the solvent. Upon the addition of the electrolyte sodium triflate (NaOTf), the ions are adsorbed on the outer surface of the protrusions to form a 30 Å layer instead of entering the ionophobic pores in the absence of an applied charging potential. The changes in scattering intensity when potentials are applied suggests the ion rearrangement in the micropores following different mechanisms depending on the electrode polarization. These observations shed insights on ion electrosorption in electrode materials.

36 MATERIALS SCIENCE↗

Simultaneously Enhanced Hydrophilicity and Stability of a Metal‐Organic Framework via Post‐Synthetic Modification for Water Vapor Sorption/Desorption

Abstract With increasing demands for high‐performance water sorption materials, metal‐organic frameworks (MOFs) have gained considerable attention due to their high maximum uptake capacities. In many cases, however, high overall capacity is not necessarily accomplishing high working capacity under operating conditions, due to insufficient hydrophilicity and/or water stability. Herein, we present a post‐synthetic modification (PSM) of MOF‐808, with di‐sulfonic acids enhancing simultaneously its hydrophilicity and water stability without sacrificing its uptake capacity of ≈30 mmol g −1 . Di‐sulfonic acid PSM enabled a shift of the relative humidity (RH) associated with a sharp step in water vapor sorption from 35–40 % RH in MOF‐808 to below 25 % RH. While MOF‐808 lost uptake capacity and crystallinity over multiple sorption/desorption cycles, the di‐sulfonic acid PSM MOF‐808 retained >80 % of the original capacity. PSM MOF‐808 exhibited good hydrothermal stability up to 60 °C and high swing capacity.

Luo, Tian‐Yi↗

Rationalizing Acidic Oxygen Evolution Reaction over IrO 2 : Essential Role of Hydronium Cation

Abstract The development of active, stable, and more affordable electrocatalysts for acidic oxygen evolution reaction (OER) is of great importance for the practical application of electrolyzers and the advancement of renewable energy conversion technologies. Currently, IrO 2 is the only catalyst with high stability and activity, but a high cost. Further optimization of the catalyst is limited by the lack of understanding of catalytic behaviors at the acid‐IrO 2 interface. Here, in strong interaction with the experiment, we develop an explicit model based on grand‐canonical density function theory (GC‐DFT) calculations to describe acidic OER over IrO 2 . Compared to the explicit models reported previously, hydronium cations (H 3 O + ) are introduced at the electrochemical interface in the current model. As a result, a variation in stable IrO 2 surface configuration under the OER operating condition from previously proposed complete *O‐coverage to a mixture coverage of *OH and *O is revealed, which is well supported by in situ Raman measurements. In addition, the accuracy of predicted overpotential is increased in comparison with the experimentally measured. More importantly, an alteration of the potential limiting step from previously identified *O→*OOH to *OH→*O is observed, which opens new opportunities to advance the IrO 2 ‐based catalysts for acidic OER.

Mou, Tianyou↗