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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Amorphous 2D Materials – A Novel Platform for Remote Epitaxy and Nanopatterned Epitaxy of III-V Semiconductors with Low Decomposition Temperatures

III-V semiconductor materials such as indium phosphide (InP) offer outstanding photonic properties that outperforms silicon, but the cost of these wafers is extremely expensive. Although reusing original wafers can effectively minimize the cost, current techniques for wafer recycling of these substrates add significant costs in fabrication, nullifying the cost savings by reusing the wafers. Besides, unlike other III-V materials such as gallium arsenide (GaAs), commonly used epitaxial lift-off method for wafer recycling is not well studied for materials like InP due to lack of lattice-matched sacrificial layers, which makes reusing these wafers more difficult. Remote epitaxy and nanopatterned epitaxy are newly discovered methods that enable single-crystal growth of III-V semiconductor thin films and easy exfoliation of these grown films, thus promising for a new cost-effective pathway of reusing wafers. However, previous methods of transferring two-dimensional (2D) materials, which use polymethyl methacrylate (PMMA) or metal stressor layers to transfer 2D materials grown on foreign substrates like copper (Cu) or silicon carbide (SiC), introduce defects and damages on the 2D layer and/or substrates during the transfer process. Remote epitaxial and nanopatterned epitaxial films grown on the damaged 2D layer/substrate suffer from lower crystal quality and imperfect exfoliation, which undermines wafer reusability and device performance. Here we report the MBE growth of amorphous boron nitride (a-BN) on InP wafers at low temperature that enabled improved quality of remote epitaxial and nanopatterned epitaxial films and their perfect exfoliation. We show fully covered a-BN on InP substrates despite their low decomposition temperatures. The surface of a-BN coated InP substrate remains smooth with a RMS roughness of around 3Å. We also demonstrate 100% coverage of single-crystal InP thin films grown on a-BN, with the film's quality significantly improved compared to the case of transferred 2D materials. In addition, the growth and exfoliation were successfully repeated multiple times, proving the feasibility for InP wafer recycling. Through this low temperature MBE growth approach with remote epitaxy and nanopatterned epitaxy, we successfully demonstrate large-scale flexible thin film exfoliation and recycling of InP substrates, which will lead to new opportunities in InP thin film-based photonics and novel heterostructures with significantly reduced cost.

Lu, Kuangye↗
NASA NTRS1995

Analytical and phenomenological studies of rotating turbulence

A framework, which combines mathematical analysis, closure theory, and phenomenological treatment, is developed to study the spectral transfer process and reduction of dimensionality in turbulent flows that are subject to rotation. First, we outline a mathematical procedure that is particularly appropriate for problems with two disparate time scales. The approach which is based on the Green's method leads to the Poincare velocity variables and the Poincare transformation when applied to rotating turbulence. The effects of the rotation are now reflected in the modifications to the convolution of a nonlinear term. The Poincare transformed equations are used to obtain a time-dependent analog of the Taylor-Proudman theorem valid in the asymptotic limit when the non-dimensional parameter mu is identical to Omega(t) approaches infinity (Omega is the rotation rate and t is the time). The 'split' of the energy transfer in both direct and inverse directions is established. Secondly, we apply the Eddy-Damped-Quasinormal-Markovian (EDQNM) closure to the Poincare transformed Euler/Navier-Stokes equations. This closure leads to expressions for the spectral energy transfer. In particular, an unique triple velocity decorrelation time is derived with an explicit dependence on the rotation rate. This provides an important input for applying the phenomenological treatment of Zhou. In order to characterize the relative strength of rotation, another non-dimensional number, a spectral Rossby number, which is defined as the ratio of rotation and turbulence time scales, is introduced. Finally, the energy spectrum and the spectral eddy viscosity are deduced.

Mahalov, Alex↗
DOE OSTI2020

Influence of Coating Method on the Performance of Roll-to-Roll Coated PEM Fuel Cell Catalyst Layers

As production of fuel cell vehicles and power systems increases there is a need to understand the process science of fuel cell manufacturing. Industrial production of polymer electrolyte membrane fuel cell (PEMFC) electrodes will rely on continuous roll-to-roll (R2R) coating methods to meet the rates needed for mass production. There are a variety of coating methods that could be used to coat catalyst layers. The different physics of each method may result in different morphologies and performance. Here we present the results of a study comparing fuel cell catalyst layers coated using two R2R coating methods: slot-die and gravure. These two methods were selected because the physics of applying the liquid to the substrate is very different between the two cases. Pt/C catalysts layers were coated directly onto carbon-fiber gas diffusion media to create gas diffusion electrodes (GDEs), without the use of a decal transfer process. These GDEs were assembled into membrane electrode assemblies (MEAs) by hot pressing to Nafion membranes. In situ performance and other electrochemical diagnostics were used to determine the influence of coating method on catalyst layer electrochemical properties. Electron microscopy was utilized to understand the influence of coating method on electrode morphology and its influence on electrochemical properties. We also explored the influence of solvent ratio to understand the potential coupling between ink formulation and coating methodology.

DIRECT ENERGY CONVERSION,MATERIALS SCIENCE↗
DOE OSTI2021

Boosting photovoltaic performance of ternary organic solar cells by integrating a multi-functional guest acceptor

Constructing ternary structure is one of the most effective design strategies to break the efficiency ceiling of traditional binary organic solar cells (OSCs). Here, a new Y-series non-fullerene acceptor (Y-T) featuring 1,3-diethyl-2-thiobarbituric acid (DTBA) end groups is developed as a third component for the classical PM6:Y6 binary system. The champion power conversion efficiency of ternary OSCs is increased from 15.64% to 17.37% via incorporating 10 wt% Y-T, with the simultaneously enhanced open-circuit voltage (Voc) of 0.865 V, a short-circuit current density (Jsc) of 26.90 mA/cm 2 , and a fill factor (FF) of 74.97%. The positive contribution of Y-T in the ternary blend can be ascribed to the improved spectroscopic complementarity and enhanced exciton utilization ratio due to the additional energy transfer process. Moreover, Y-T guest acceptor plays a critical role in adjusting the active layer morphology and facilitating three-dimension phase separation, resulting in a balanced charge transport and enhanced FF of ternary OSCs. Overall, this work provides insight into the molecular design of non-fullerene acceptor and suggest guidelines to rationally select guest component for ternary OSCs.

14 SOLAR ENERGY↗
NASA NTRS1993

An extended laser flash technique for thermal diffusivity measurement of high-temperature materials

Knowledge of thermal diffusivity data for high-temperature materials (solids and liquids) is very important in analyzing a number of processes, among them solidification, crystal growth, and welding. However, reliable thermal diffusivity versus temperature data, particularly those for high-temperature liquids, are still far from complete. The main measurement difficulties are due to the presence of convection and the requirement for a container. Fortunately, the availability of levitation techniques has made it possible to solve the containment problem. Based on the feasibility of the levitation technology, a new laser flash technique which is applicable to both levitated liquid and solid samples is being developed. At this point, the analysis for solid samples is near completion and highlights of the technique are presented here. The levitated solid sample which is assumed to be a sphere is subjected to a very short burst of high power radiant energy. The temperature of the irradiated surface area is elevated and a transient heat transfer process takes place within the sample. This containerless process is a two-dimensional unsteady heat conduction problem. Due to the nonlinearity of the radiative plus convective boundary condition, an analytic solution cannot be obtained. Two options are available at this point. Firstly, the radiation boundary condition can be linearized, which then accommodates a closed-form analytic solution. Comparison of the analytic curves for the temperature rise at different points to the experimentally-measured values will then provide the thermal diffusivity values. Secondly, one may set up an inverse conduction problem whereby experimentally obtained surface temperature history is used as the boundary conditions. The thermal diffusivity can then be elevated by minimizing the difference between the real heat flux boundary condition (radiation plus convection) and the measurements. Status of an experimental study directed at measuring the thermal diffusivity of high-temperature solid samples of pure Nickel and Inconel 718 superalloys are presented. Preliminary measurements showing surface temperature histories are discussed.

Shen, F.↗
NASA NTRS1978

The First Seasat-A Industrial Users Workshop

The purpose of this workshop was to begin the process of definition and development of the SEASAT-A Demonstration Program, leading to the implementation of a set of experiments which would begin during the latter part of 1978 following the launch of SEASAT-A (now scheduled for May 1978). NASA through the SEASAT-A program, has encouraged the planning of cooperative experiments by industry and government agencies that operate in areas of ocean activity that could benefit from improved measurements and forecasts of weather and ocean conditions. The objectives of these experiments are to: (1) evaluate the significance of SEASAT-A data to commercial user organizations; (2) assist in identifying those characteristics of follow-on systems that are important to industrial users; (3) obtain experimental evidence that could be used to refine estimates of the economic potential of an operational system; and (4) begin the technology transfer process to the industrial users.

Hicks, K. W.↗
DOE OSTI2021

Beyond Thermodynamics: Assessing the Dynamical Softness of Hydrated Ions from First Principles

Ion (de)hydration is a key rate-determining step in interfacial processes from corrosion to electrochemical energy storage. However, predicting the kinetics of ion (de)hydration remains challenging, prompting the use of static proxies such as hydration energy and valence. While useful for assessing thermodynamic preferences, such descriptors cannot fully capture the dynamical softness of the hydration shell that dictates kinetics. Accordingly, we use first-principles molecular dynamics to analyze hydration shell softness for a diverse set of metal cations. Additionally, three dynamic metrics are introduced to intuitively describe the bond rigidity, shape deformability, and exchange fluidity of the solvation shell. Together, these metrics capture the relevant physics in the static descriptors, while offering a far more complete and efficient representation for the overall propensity for (de)hydration. Application to the hydrated ion set demonstrates a weak connection between dynamical softness and hydration energy, confirming that dynamical descriptors of hydration are key for correctly describing ion transfer processes.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Non-linear resonance of fluids in a crystal growth cavity

In the microgravity environment, the effect of gravity on fluid motion is much reduced. Hence, secondary effects such as vibrations, jitters, surface tension, capillary effects, and electromagnetic forces become the dominant mechanism of fluid convection. Numerous studies have been conducted to investigate fluid behavior in microgravity with the ultimate goal of developing processes with minimal influence from convection. Industrial applications such as crystal growth from solidification of melt and protein growth for pharmatheutical application are just a few examples of the vast potential benefit that can be reaped from material processing in space. However, a space laboratory is not immune from all undesirable disturbances and it is imperative that such disturbances be well understood, quantifiable, and controlled. Non-uniform and transient accelerations such as vibrations, jitters, and impulsive accelerations exist as a result of crew activities, space vehicle maneuvering, and the operations of on-board equipment. Measurements conducted on-board a U.S. Spacelab showed the existence of vibrations in the frequency range of 1 to 100 Hz with a dominant mode of 17 Hz and harmonics of 54 Hz. The observed vibration is not limited to any coordinate plane but exists in all directions. Similar situation exists on-board the Russian MIR space station. Due to the large structure of its design, the future International Space Station will have its own characteristic vibration spectrum. It is well known that vibration can exert substantial influence on heat and mass transfer processes, thus hindering any attempts to achieve a diffusion-limited process. Experiments on vibration convection for a liquid-filled enclosure under one-g environment showed the existence of different flow regimes as vibration frequency and intensity changes. Results showed the existence of a resonant frequency, near which the enhancement is the strongest, and the existence of a high frequency asymptote. Numerical simulations of vibration convection have been conducted by Yurkov, Fu and Shieh, and by Wang. These analyses considered a two-dimensional air-filled cell under weightlessness condition and showed results similar to those of the experiments. It is not yet known whether resonance convection can be triggered by jitter alone or whether it requires the interaction of jitter with other convective forces in low gravity. An order of magnitude analysis, however, can be used to show the dependence of the resonance frequency on the fluid Prandtl number. Even though the onset of resonance convection may depend on other factors, results indicates that fluids with low Prandtl numbers are more susceptible to resonance than those with high Prandtl numbers. The current study is aimed at gaining additional insights to this problem using germanium as working fluid. Germanium was chosen for this analysis because of its common usage in solidification process and its relatively low Prandtl number (Pr = 0.02).

Wang, Francis C.↗
DOE OSTI2023

Interactions between nonfullerene acceptors lead to unstable ternary organic photovoltaic cells

For organic photovoltaic (OPV) devices to achieve consistent performance and long operational lifetimes, organic semiconductors must be processed with precise control over their purity, composition, and structure. This is particularly important for high volume solar cell manufacturing where control of materials quality has a direct impact on yield and cost. Ternary-blend OPVs containing two acceptor–donor–acceptor (A–D–A)-type nonfullerene acceptors (NFAs) and a donor have proven to be an effective strategy to improve solar spectral coverage and reduce energy losses beyond that of binary-blend OPVs. Here, we show that the purity of such a ternary is compromised during blending to form a homogeneously mixed bulk heterojunction thin film. We find that the impurities originate from end-capping C=C/C=C exchange reactions of A–D–A-type NFAs, and that their presence influences both device reproducibility and long-term reliability. The end-capping exchange results in generation of up to four impurity constituents with strong dipolar character that interfere with the photoinduced charge transfer process, leading to reduced charge generation efficiency, morphological instabilities, and an increased vulnerability to photodegradation. As a consequence, the OPV efficiency falls to less than 65% of its initial value within 265 h when exposed to up to 10 suns intensity illumination. We propose potential molecular design strategies critical to enhancing the reproducibility as well as reliability of ternary OPVs by avoiding end-capping reactions.

14 SOLAR ENERGY↗
DOE OSTI2021

DEVELOPMENT OF A LUMPED-PARAMETER THERMAL MODEL FOR ELECTRO-HYDRAULIC ACTUATORS

This paper describes a thermal-hydraulic modeling method of a closed-circuit electro-hydraulic actuator (EHA). Despite the high energy efficiency of EHAs, it is always important to assess their cooling requirements, to guarantee that the operating temperature remains within an acceptable range. The method proposed in this paper is based on a lumped parameter approach and simplifies some of the complex heat transfer processes by introducing empirical correction factors. The model is validated by means of temperature measurements on an EHA architecture developed by the author. The good match between the simulation results and experiments confirms the capability of the proposed methodology to predict the temperature performance of the reference EHA under different drive cycles. The paper presents a detailed analysis of the power losses and passive heat dissipation for the reference system. Based on this analysis, the cooling requirements of the EHA are studied.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Synthesis and Photophysics of Phenylene Based Triplet Donor–Acceptor Dyads: ortho vs. para Positional Effect on Intramolecular Triplet Energy Transfer

Two phenylene based geometrical/isomeric triplet ortho- and para–dyads (o–3 and p–3, respectively) were synthesized and fully characterized using advanced photophysical tools and computations. In dyad o–3, the through-space donor-acceptor interactions led to simultaneous triplet energy transfer and charge transfer with identical kinetics. On the other hand, in the dyad p–3, it was found that the phenylene spacer favors a fast triplet energy delocalization over the charge transfer process. Furthermore, analysis of the results from the present investigation indicates that the deactivation of the photo-excited species (o–3)* occurs through both the intrinsic channel viz. S0←S1 and charge recombination. In the case of dyad p–3, the results indicate that the primary deactivation pathway is self-quenching or triplet-triplet annihilation involving the acceptor unit(s).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Tunable angle-dependent electrochemistry at twisted bilayer graphene with moiré flat bands

Tailoring electron transfer dynamics across solid–liquid interfaces is fundamental to the interconversion of electrical and chemical energy. Stacking atomically thin layers with a small azimuthal misorientation to produce moiré superlattices enables the controlled engineering of electronic band structures and the formation of extremely flat electronic bands. Here, we report a strong twist-angle dependence of heterogeneous charge transfer kinetics at twisted bilayer graphene electrodes with the greatest enhancement observed near the ‘magic angle’ (~1.1°). Furthermore, this effect is driven by the angle-dependent tuning of moiré-derived flat bands that modulate electron transfer processes with the solution-phase redox couple. Combined experimental and computational analysis reveals that the variation in electrochemical activity with moiré angle is controlled by a structural relaxation of the moiré superlattice at twist angles of <2°, and ‘topological defect’ AA stacking regions, where flat bands are localized, produce a large anomalous local electrochemical enhancement that cannot be accounted for by the elevated local density of states alone.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microwave-assisted catalytic gasification of mixed plastics and corn stover for low tar, hydrogen-rich syngas production

The challenge for efficient management of post-consumer plastic and biomass waste has grown over the past few decades due to their dramatic increases. In comparison to conventional gasification, microwave-assisted co-gasification of plastics and corn stover offers many benefits, including increased H 2 yield and gas components compared to unfavorable char/tar. Nonetheless, for future commercialization of the process and ease of product separation, further reduction of the undesirable tar is necessary, which can be achieved over the catalytic route. Here, in this work, we studied the catalytic effect of magnetite for microwave-assisted co-gasification of corn stover and plastic to make syngas with higher H 2 and lower tar selectivity over non-catalytic conditions. A 1:1:1 ratio of plastic-corn stover-magnetite was used to evaluate the reaction parameters such as temperature, space velocity, heating media, and catalytic cycles under gasification conditions. In comparison with the microwave non-catalytic route, a 100% increase in the total H 2 yield with 76% higher H 2 production efficiency (mmol/kWh) was achieved in the presence of the magnetite catalyst, while reducing the overall tar formation from 9% to 2%. When magnetite was reduced in situ during the reaction, it coupled with microwave and delivered oxygen radicals that cracked down plastic and corn stover intermediates generated from the synergistic effect under microwave heating. Soon after the oxygen transfer process initiated, magnetite reached its final oxidation state consisting of microwave-active Fe and Fe 3 C phases that continued coupling with microwaves along with the generated graphitic carbon to maintain the heat necessary to further reduce the generated tar and make additional gaseous products, as confirmed by XRD, Raman, and TGA analyses.

08 HYDROGEN↗
DOE OSTI2023

Theory and Simulation of Ultrafast Multidimensional Nonlinear X-ray Spectroscopy of Molecules (Final Report)

Emerging X-ray free electron laser (XFEL) beam sources offer new types of probes of matter with unprecedented spatial and temporal resolutions. These experimental advances must be met by robust theoretical and computational tools that provide predictive modeling capacity of the underlining electronic and structural dynamics. The latter will be essential for the design of sophisticated multi-pulse experiments and for their interpretation. The proposed research effort will focus on developing cutting- edge simulation tools for nonlinear multidimensional X-ray/optical spectroscopies and aims to address key questions in Priority Research Opportunities 1 (Probing and controlling electron motion within a molecule) and 3 (Capturing rare events and intermediate states in the transformation of matter) as mentioned in the BES Roundtable Report “Opportunities for Basic Research at the Frontiers of XFEL Ultrafast Science”. XFEL multidimensional nonlinear techniques, which combine sequences of X-ray and possibly optical pulses, provide a unique experimental toolbox for probing the dynamics of core and valence electronic excitations, as well as material structure. Predictive modeling of these dynamical processes requires the combination of analytical theory for nonlinear interactions of light and matter, robust quantum-chemical methodologies for the accurate description of electronic structure of various materials, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born-Oppenheimer approximation. These challenges will be addressed with three research thrusts (i) Develop and implement theoretical apparatus for modeling a broad range of multidimensional spectroscopic techniques enabled by present and upcoming XFEL facilities. This thrust also includes the incorporation of a computational module in the DOE supported open-source NWChem computational chemistry package as well as the development of other open-source codes ready for dissemination across a broad user base; (ii) Propose and design new multi-pulse experiments that make use of the capabilities of the incoming LCLS-II facility; (iii) Perform selected applications to specific molecular systems that can be carried out at LCLS-II and demonstrate how these X-ray sources may be used to study nonadiabatic dynamics through conical interactions, electronic correlations in multi-core excitons, and charge transfer/energy transfer processes. The proposed research will be carried out by a multi-disciplinary four-institution research team which combines academia and national laboratories and spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry, molecular non-adiabatic dynamics and code development. The work will be performed in a highly interactive team environment with junior researchers shared between institutions thus cementing cross- disciplinary interactions. The developed simulation tools will be immediately deployed for XFEL facility users, both experimentalists and theorists, via freely distributed codes and databases. Altogether, this project will facilitate establishing XFEL-based multidimensional spectroscopies as a novel diagnostic tool for monitoring electronic and structural dynamics in molecular materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2008

Polymer Coats Leads on Implantable Medical Device

Langley Research Center s Soluble Imide (LaRC-SI) was discovered by accident. While researching resins and adhesives for advanced composites for high-speed aircraft, Robert Bryant, a Langley engineer, noticed that one of the polymers he was working with did not behave as predicted. After putting the compound through a two-stage controlled chemical reaction, expecting it to precipitate as a powder after the second stage, he was surprised to see that the compound remained soluble. This novel characteristic ended up making this polymer a very significant finding, eventually leading Bryant and his team to win several NASA technology awards, and an "R&D 100" award. The unique feature of this compound is the way that it lends itself to easy processing. Most polyimides (members of a group of remarkably strong and incredibly heat- and chemical-resistant polymers) require complex curing cycles before they are usable. LaRC-SI remains soluble in its final form, so no further chemical processing is required to produce final materials, like thin films and varnishes. Since producing LaRC-SI does not require complex manufacturing techniques, it has been processed into useful forms for a variety of applications, including mechanical parts, magnetic components, ceramics, adhesives, composites, flexible circuits, multilayer printed circuits, and coatings on fiber optics, wires, and metals. Bryant s team was, at the time, heavily involved with the aircraft polymer project and could not afford to further develop the polymer resin. Believing it was worth further exploration, though, he developed a plan for funding development and submitted it to Langley s chief scientist, who endorsed the experimentation. Bryant then left the high-speed civil transport project to develop LaRC-SI. The result is an extremely tough, lightweight thermoplastic that is not only solvent-resistant, but also has the ability to withstand temperature ranges from cryogenic levels to above 200 C. The thermoplastic s unique characteristics lend it to many commercial applications; uses that Bryant believed would ultimately benefit industry and the Nation. "LaRC-SI," he explains, "is a product created in a government laboratory, funded with money from the tax-paying public. What we discovered helps further the economic competitiveness of the United States, and it was our goal to initiate the technology transfer process to ensure that our work benefited the widest range of people." Several NASA centers, including Langley, have explored methods for using LaRC-SI in a number of applications from radiation shielding and as an adhesive to uses involving replacement of conventional rigid circuit boards. In the commercial realm, LaRC-SI can now be found in several commercial products, including the thin-layer composite unimorph ferroelectric driver and sensor (THUNDER) piezoelectric actuator, another "R&D 100" award winner (Spinoff 2005).

Source record↗
DOE OSTI2023

Direct Evidence for Excited Ligand Field State-based Oxidative Photoredox Chemistry of a Cobalt(III) Polypyridyl Photosensitizer

Increasing interest in sustainable chemistry coupled with the quest to explore new reactivity has spurred research on first-row transition metal complexes for potential applications in a variety of settings. One of the more active areas of research is photoredox catalysis, where the synthetically tunable nature of their electronic structures provides a rich palette of options for tailoring their reactivity to a desired chemical transformation. Understanding the mechanism of excited-state reactivity is critical for the informed development of next-generation catalysts, which in turn requires information concerning the propensity of their electronic excited states to engage in the desired electron or energy transfer processes. Herein we provide direct evidence of the highly oxidizing nature of the lowest-energy ligand-field (LF) excited state of a first-row d 6 -low-spin Co(III) photosensitizer [Co(4,4'-Br 2 bpy) 3 ] 3+ (where 4,4'-Br 2 bpy is 4,4'-dibromo-2,2'-bipyridine). The redox potential associated with the LF excited state of the Co(III) complex was bracketed by performing bimolecular quenching studies by using a series of simple organic electron donors. Time-resolved absorption spectroscopy confirmed a dynamic quenching process attributed to reductive quenching of the lowest-energy ligand-field excited state of the Co(III) chromophore. Analysis of the Stern–Volmer plots for each chromophore-quencher pair revealed a limiting value of E red * ~ 1.25 V vs Fc/Fc + for the metal-centered excited state, which is significantly stronger than that of more commonly employed transition metal-based photoredox agents such as [Ru(bpy) 3 ] 2+ (E red * = 0.32 V vs Fc/Fc + ) and [Ir(ppy) 2 (bpy)] + (E red * = 0.27 V vs Fc/Fc + ). Finally, these results suggest that this class of chromophores could find utility in applications requiring the activation of oxidatively resistant organic substrates for photoredox catalysis.

14 SOLAR ENERGY↗
DOE OSTI2026

Facile synthesis of Co(OH)2 nanoneedle arrays grown on stainless steel for industrial electrochemical oxygen evolution reaction

The electrochemical oxygen evolution reaction (OER) is a critical half-reaction in a variety of energy conversion and storage applications, however, OER suffers from sluggish kinetics due to the four proton-electron transfer processes. To remedy this, interfacial engineering proves an effective strategy to design high active OER catalysts. Herein, we report a facile synthesis of Co(OH)2 nanoneedle (Co-NN) arrays grown on stainless steel (SS) via a one-step hydrothermal reaction, and the resultant impressive OER performance. Particularly, the Co-NN/SS needs 267, 307, and 576 mV overpotentials to reach 10, 100, and 1000 mA cm−2 in 1 M KOH & room temperature, and the overpotentials drop to 199, 257, and 283 mV to achieve the same current densities in 30 wt% KOH & 80 °C. Additionally, an alkaline water electrolysis (AWE) cell coupled with Co-NN/SS anode and PtRu/NiMo cathode only requires 1.65 and 1.73 V iR-free cell voltage to reach 1.0 and 2.0 A cm−2, respectively. The sterling OER performance could be attributed to four possible reasons, the Fe in SS surface tailoring the electronic properties of Co(OH)2, the mixed metal oxides on SS surface accelerating surface reconstruction of Co(OH)2 nanoneedles into CoOOH active species, a Ni-rich surface layer formation cooperatively boosting the OER activity, and a local electric field effect concentrating reactants on the tip surface and accelerating the mass transfer. This work provides a facile approach for synthesizing highly efficient OER catalysts for industrial applications by interfacial engineering.

Lyu, Xiang [ORNL] (ORCID:0000000208673248)↗
NASA NTRS2011

An Efficient Monte Carlo Method for Modeling Radiative Transfer in Protoplanetary Disks

Monte Carlo methods have been shown to be effective and versatile in modeling radiative transfer processes to calculate model temperature profiles for protoplanetary disks. Temperatures profiles are important for connecting physical structure to observation and for understanding the conditions for planet formation and migration. However, certain areas of the disk such as the optically thick disk interior are under-sampled, or are of particular interest such as the snow line (where water vapor condenses into ice) and the area surrounding a protoplanet. To improve the sampling, photon packets can be preferentially scattered and reemitted toward the preferred locations at the cost of weighting packet energies to conserve the average energy flux. Here I report on the weighting schemes developed, how they can be applied to various models, and how they affect simulation mechanics and results. We find that improvements in sampling do not always imply similar improvements in temperature accuracies and calculation speeds.

radiative transfer↗