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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Two-dimensional ruthenium boride: a Dirac nodal loop quantum electrocatalyst for efficient hydrogen evolution reaction

Catalysts with high carrier mobility, high activity, and an active basal plane have been highly sought for the hydrogen evolution reaction (HER). However, combining these advantages into one single material is a grand challenge. Herein, using first principles computations, we predicted that a two-dimensional (2D) Dirac nodal loop semimetal, namely the RuB 4 monolayer, is promising as a superior catalyst for the HER. Our systematic computations showed that the single layer RuB 4 is thermodynamically, dynamically, mechanically, and thermally stable and presents multiple Ru and B sites for the HER on the basal plane. The estimated Gibbs free energy for hydrogen adsorption at a Ru site is approaching zero (–8.8 meV), suggesting its excellent HER performance. The RuB 4 monolayer is a Dirac nodal loop semimetal with high Fermi velocities, which can accelerate charge transfer between catalysts and reaction intermediates. The RuB 4 monolayer is an auxetic material with an out-of-plane negative Poisson's ratio, implying its novel mechanical properties. Finally, this work provides an example of using a Dirac nodal loop semimetal for high-performance HER catalysts, which is a promising alternative to the known catalysts with trivial metallic properties.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Cesium lead bromide semiconductor radiation detectors: crystal growth, detector performance and polarization

Cesium lead bromide (CsPbBr 3 ) is an upcoming semiconductor radiation detector that has the potential to match the detection properties of cadmium zinc telluride (CZT) and thallium bromide (TlBr). In this paper, we report on CsPbBr 3 gamma detectors with an uncorrected energy resolution of 2% at 662 keV with photopeak-to-Compton ratios as high as 14.3 and hole mobility-lifetime products (μτ h ) as high as 1.7 × 10 –2 cm 2 V –1 . Furthermore, we demonstrate that the processes employed for material purification and crystal growth of high-performing devices are scalable, and large (up to 65 mm in diameter) ultrahigh purity CsPbBr 3 crystals have been successfully grown. Furthermore by using optimized growth conditions and detector fabrication processes, we were able to mitigate the polarization problem where it was revealed that the polarization process is highly dependent on the crystal quality and the electric field direction with respect to the orientation of the crystal.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Silver-decorated palladium on carbon catalyst for enhanced ammonium formate dehydrogenation

Palladium (Pd)-based catalysts efficiently convert ammonium formate solution to hydrogen at low temperatures (<100 °C), but they tend to deactivate quickly during stability testing. This manuscript presents a systematic investigation into the catalytic properties of Pd–Ag bimetallic catalysts, focusing on their surface compositions and exploring the mechanisms behind the deactivation of Pd/Ag-based catalysts. Here this study reports a carbon-supported Pd–Ag bimetallic nanoparticle (NP) catalyst obtained through a galvanic replacement method, which showed enhanced formate dehydrogenation performance. The best catalyst, Pd 3 Ag 10 /ACA-G (Pd–Ag bimetallic NPs with a 3 : 10 mass ratio loaded on acid-washed activated carbon, prepared by the galvanic replacement method), presents the highest activity with a TOF of 5202 h -1 (~2.6-fold of commercial Pd/C). The enhanced electron density of Pd–Ag bimetallic nanoparticles, coupled with the advantages of a smaller nanoparticle size, and the modulation of hydrogen adsorption energy through the Ag/Pd surface alloy on the Ag/Pd(111) facet, collectively resulted in experimentally higher turnover rates of hydrogen production. The changes on the catalyst surface, including surface Ag fraction decrease, NP size growth, and O-containing species (carboxylate, etc.) adsorption, gradually resulted in catalyst deactivation.

08 HYDROGEN↗
DOE OSTI2023

Boosting the performance of reversible solid oxide electrochemical cells with a novel hybrid oxygen electrode, Pr 1.39 Ba 0.14 Sr 0.53 Co 1.48 Fe 0.76 O 6- δ -Ba 0.66 Sr 0.34 CoO 3- δ

Solid oxide electrochemical cells (SOECs) stand out as a highly promising clean energy technology that offers several benefits, showing significant potential to play a pivotal role in the transition towards a sustainable and low-carbon energy future. SOECs can efficiently convert the chemical energy stored in fuels to electricity in fuel cell mode, and produce various chemicals from abundant feedstocks (e.g., CO 2 , H 2 O) and intermittent solar/wind-based renewable electricity. Despite extensive efforts that have been devoted to designing novel materials and optimizing SOEC manufacturing processes, aiming to achieve enhanced energy efficiency, the current SOECs still suffer from poor performance, which is mainly due to the sluggish oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) kinetics. To address this challenge, in this work, we have successfully designed an in situ formed hybrid oxygen electrode material (Pr 1.39 Ba 0.14 Sr 0.53 Co 1.48 Fe 0.76 O 6- δ -Ba 0.66 Sr 0.34 CoO 3- δ ), which significantly improves the surface oxygen exchange coefficient and bulk oxygen-ion diffusion coefficient, enhancing the OER and ORR electrocatalytic activities. Further, the SOECs equipped with this newly developed oxygen electrode achieved exceptional performance for power generation using both hydrogen and propane as the fuels. At 750 °C, a peak power density of 2.4 W cm -2 was obtained with H 2 as the fuel. Additionally, the SOECs attain unprecedented performance in steam electrolysis mode. A current density of 4.4 A cm -2 was achieved at 1.3 V and 750 °C, which represents the highest performance among all yttria-stabilized zirconia (YSZ) electrolyte-based SOECs. The SOECs also deliver remarkable stability during the accelerated stability testing, highlighting the great potential of Pr 1.39 Ba 0.14 Sr 0.53 Co 1.48 Fe 0.76 O 6- δ -Ba 0.66 Sr 0.34 CoO 3- δ as a high-performance oxygen electrode for next generation SOECs.

08 HYDROGEN↗
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

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 OSTI2016

High voltage and high current density vertical GaN power diodes

We report on the realization of a GaN high voltage vertical p-n diode operating at > 3.9 kV breakdown with a specific on-resistance < 0.9 mΩ.cm 2 . Diodes achieved a forward current of 1 A for on-wafer, DC measurements, corresponding to a current density > 1.4 kA/cm 2 . An effective critical electric field of 3.9 MV/cm was estimated for the devices from analysis of the forward and reverse current-voltage characteristics. Furthermore this suggests that the fundamental limit to the GaN critical electric field is significantly greater than previously believed.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Quantifying the Mobility and Energy Benefits of Automated Mobility Districts Using Microscopic Traffic Simulation

Connected and automated vehicles (CAVs) are increasingly being discussed as the basis for shared mobility and on-demand services to replace privately owned vehicles. The rapid growth of transportation networking companies (TNCs) and their increasing investment in automated vehicle (AV) technologies attests to this. Combining the concepts of TNCs, with AV and on-demand transit services, the term 'automated mobility district' (AMD) describes a district-scale implementation of CAV technology to realize the full benefits of a shared, fully automated vehicle service within a confined region. This research effort provides a modeling architecture for AMDs along with a preliminary analysis to quantify the mobility and energy benefits of such districts. A customized open-source microscopic mobility simulation toolkit built on the simulation of urban mobility (SUMO) platform is implemented for AMD performance evaluation. Experimental scenarios are tested with different combinations of operational variables to provide insights on energy and mobility gains that can be realized in AMDs.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Measuring Fundamental Improvements in Sustainable Urban Mobility: The Mobility-Energy Productivity Metric

Recent technological advancements in mobility are creating many options for connecting citizens with employment, goods, and services, particularly in urban areas where modes such as bike and car shares, electric scooters, ridesourcing, and ridesharing are proliferating at a rapid pace. Analysis and tools for overall transportation planning are dominated by urban regional travel demand models whose roots in highway operations poorly reflect the system dynamics in denser areas where parking costs, convenience, and availability - not to mention sustainability concerns and quality of life - are driving people to an ever-greater spectrum of mobility services. In this paper, we present a new paradigm for evaluating mobility options within an urban area. First developed for the U.S. Department of Energy's Energy Efficient Mobility System research program, this metric is termed the mobility-energy productivity (MEP) metric. At its heart, the MEP metric measures accessibility and appropriately weights it with travel time, cost, and energy of modes that provide access to opportunities in any given location. The proposed metric is versatile in that it can be computed from readily available data sources or derived from outputs of regional travel demand models. End times associated with parking, curb access, cost, and reliability and frequency of service need to be carefully considered to obtain an appropriate and accurate perspective when computing the metric. Ultimately, the MEP metric can be used to reflect the impacts of new mobility technologies (transportation network companies, electric scooters), business models (car shares and bike shares), and land-use practices (such as transit-oriented development) on sustainable urban mobility. This paper lays out the need, requirements, and framework for this new metric, and offers it, in collaboration with the American Society for Civil Engineers (ASCE), as a foundational metric for smart city assessment.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2013

Silver nanorod arrays for photocathode applications

In this study, we explore the possibility of using plasmonic Ag nanorod arrays featuring enhanced photoemission as high-brightness photocathode material. Silver nanorod arrays are synthesized by the DC electrodeposition method and their dimensionality, uniformity, crystallinity and oxide/impurity content are characterized. These Ag nanorod arrays exhibit greatly enhanced two-photon photoemission under 400 nm femtosecond pulsed laser excitation. Plasmonic field enhancement in the array produces photoemission hot spots that are mapped using photoemission electron microscopy (PEEM). The relative photoemission enhancement of nanorod array hot spots relative to that of a flat Ag thin film is found to range between 102 and 3 x 10 3 .

14 SOLAR ENERGY↗
DOE OSTI2014

Characterizing system dynamics with a weighted and directed network constructed from time series data

In this work, we propose a novel method to transform a time series into a weighted and directed network. For a given time series, we first generate a set of segments via a sliding window, and then use a doubly symbolic scheme to characterize every windowed segment by combining absolute amplitude information with an ordinal pattern characterization. Based on this construction, a network can be directly constructed from the given time series: segments corresponding to different symbol-pairs are mapped to network nodes and the temporal succession between nodes is represented by directed links. With this conversion, dynamics underlying the time series has been encoded into the network structure. We illustrate the potential of our networks with a well-studied dynamical model as a benchmark example. Results show that network measures for characterizing global properties can detect the dynamical transitions in the underlying system. Moreover, we employ a random walk algorithm to sample loops in our networks, and find that time series with different dynamics exhibits distinct cycle structure. That is, the relative prevalence of loops with different lengths can be used to identify the underlying dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Optimization of the optical properties of nanostructured silicon surfaces for solar cell applications

Surface nanostructuration is an important challenge for the optimization of light trapping in solar cell. We present simulations on both the optical properties and the efficiency of micro pillars—MPs—or nanocones—NCs—silicon based solar cells together with measurements on their associated optical absorption. We address the simulation using the Finite Difference Time Domain method, well-adapted to deal with a periodic set of nanostructures. We study the effect of the period, the bottom diameter, the top diameter, and the height of the MPs or NCs on the efficiency, assuming that one absorbed photon induces one exciton. This allows us to give a kind of abacus involving all the geometrical parameters of the nanostructured surface with regard to the efficiency of the associated solar cell. We also show that for a given ratio of the diameter over the period, the best efficiency is obtained for small diameters. For small lengths, MPs are extended to NCs by changing the angle between the bottom surface and the vertical face of the MPs. The best efficiency is obtained for an angle of the order of 70°. Finally, nanostructures have been processed and allow comparing experimental results with simulations. In every case, a good agreement is found.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

Device characterization for design optimization of 4 junction inverted metamorphic concentrator solar cells

Quantitative electroluminescence (EL) and luminescent coupling (LC) analysis, along with more conventional characterization techniques, are combined to completely characterize the subcell JV curves within a fourjunction (4J) inverted metamorphic solar cell (IMM). The 4J performance under arbitrary spectral conditions can be predicted from these subcell JV curves. The internal radiative efficiency (IRE) of each junction has been determined as a function of current density from the external radiative efficiency using optical modeling, but this required the accurate determination of the individual junction current densities during the EL measurement as affected by LC. These measurement and analysis techniques can be applied to any multijunction solar cell. The 4J IMM solar cell used to illustrate these techniques showed excellent junction quality as exhibited by high IRE and a one-sun AM1.5D efficiency of 36.3%. This device operates up to 1000 suns without limitations due to any of the three tunnel junctions.

14 SOLAR ENERGY↗
DOE OSTI2014

On the relationship factor between the PV module temperature and the solar radiation on it for various BIPV configurations

Temperatures of c-Si, pc-Si and a-Si PV modules making part of a roof in a building or hanging outside windows with various inclinations were measured with respect to the Intensity of the solar radiation on them under various environmental conditions. A relationship coefficient f was provided whose values are compared to those from a PV array operating in a free standing mode on a terrace. A theoretical model to predict f was elaborated. According to the analysis, the coefficient f takes higher values for PV modules embedded on a roof compared to the free standing PV array. The wind effect is much stronger for the free standing PV than for any BIPV configuration, either the PV is part of the roof, or placed upon the roof, or is placed outside a window like a shadow hanger. The f coefficient depends on various parameters such as angle of inclination, wind speed and direction, as well as solar radiation. For very low wind speeds the effect of the angle of inclination, β, of the PV module with respect to the horizontal on PV temperature is clear. As the wind speed increases, the heat transfer from the PV module shifts from natural flow to forced flow and this effect vanishes. The coefficient f values range from almost 0.01 m{sup 2°}C/W for free standing PV arrays at strong wind speeds, v{sub W}>7m/s, up to around 0.05 m{sup 2°}C/W for the case of flexible PV modules which make part of the roof in a BIPV system.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

Novel method for evaluation of natural dyes in DSSC

Dye sensitized Solar Cell (DSSC) is presently centered on Ruthenium based dyes. Recent research is diverted to explore the potential of natural dyes in replacing the conventional dyes. In this work we have chosen few natural dyes, which when coated on TiO{sub 2} leads to increase in absorption capacity of TiO{sub 2}. Co-relation of absorption and electrochemical properties of natural dyes gives a scientific insight of the probable performance of a dye, even without fabricating a cell. We have tried to compare this predictions based on HOMO-LUMO energy levels with the real cell performance. Measurements of cell parameters suggest that there is scope for further research in this area.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Comment on “Towards high efficiency thin-film crystalline silicon solar cells: The roles of light trapping and non-radiative recombinations” [J. Appl. Phys. 115, 094501 (2014)]

In the above paper, an analytical approach including a new solution to the differential diffusion equation in illuminated quasi-neutral regions (QNR) is exploited to calculate the short-circuit current density (J{sub sc}), open-circuit voltage (V{sub oc}), fill factor (FF), and efficiency (η) of light-trapping (LT) c-Si solar cells with a given structure. Comparisons with numerical results calculated by the Silvaco ATLAS device simulator in the same LT cells show that the analytical results are systematically overestimated. According to the authors, the inaccuracies in J{sub sc}, V{sub oc}, and η are due to the fact that assuming ideal collection from space-charge region (SCR) and using the superposition approximation introduce systematic errors into analytical models. In this comment, an analytical approach using reported solutions to the transport equations in QNR and SCR, where ideal collection from SCR is assumed and the superposition approximation is used, is shown to agree with both the Silvaco and PC1d numerical approaches in calculating J{sub sc}, V{sub oc}, and η, in the same LT devices as considered in the commented paper. Reasons for the inaccuracies detected in the commented paper are suggested.

30 DIRECT ENERGY CONVERSION↗