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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Improving Photocatalysis for the Reduction of CO 2 through Non-covalent Supramolecular Assembly

Here, we report the first successful enhancement of photocatalytic performance by introduction of hydrogen bonding interactions to Re bipyridine catalyst and Ru photosensitizer system (ReDAC/RuDAC) with the addition of amide substituents. This system shows a more than threefold increase in turnover number (TONCO = 100 ± 4) and quantum yield (Φ CO = 23 ± 1 %) for carbon monoxide formation compared to the control system using unsubstituted Ru photosensitizer (RuBPY) and ReDAC (TON CO = 28 ± 4 and Φ CO = 7 ± 1 %) in acetonitrile (MeCN) with BIH as sacrificial reductant. In dimethylformamide (DMF), a hydrogen bonding interrupting solvent, the ReDAC/RuDAC system showed a decrease in catalysis while the control system exhibited an increase, indicating the role of hydrogen bonding in enhancing the photocatalysis for CO 2 reduction through supramolecular assembly. RuDAC and RuBPY have demonstrated no significant differences in lifetime measurements, spectroscopic analysis, electrochemical studies and spectroelectrochemical studies, revealing that the enhancement in photocatalysis in RuDAC/ReDAC in MeCN system is not due to differences in properties unrelated to catalyst/photosensitizer association but a direct result of hydrogen bonding interactions.

14 SOLAR ENERGY↗
DOE OSTI2016

Putting chromium on the map for N 2 reduction: production of hydrazine and ammonia. A study of cis -M(N 2 ) 2 (M = Cr, Mo, W) bis(diphosphine) complexes

The first complete structurally and spectroscopically characterized series of isostructural Group 6 N 2 complexes is reported in this paper. Protonolysis experiments on cis-[M(N 2 ) 2 (P Et N R P Et ) 2 ] (M = Cr, Mo, W; R = 2,6-difluorobenzyl) reveal that only Cr affords N 2 H 5 + and NH 4 + from the reduction of the N 2 ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Boosting solid oxide fuel cell performance via electrolyte thickness reduction and cathode infiltration

Increasing the power density and reducing the operating temperature of solid oxide fuel cells (SOFCs) is important for improving commercial viability. Here we discuss two strategies for achieving such improvements in Ni–YSZ supported SOFCs – electrolyte thickness reduction and cathode infiltration. Microstructural and electrochemical results are presented showing the effect of reducing YSZ/GDC electrolyte thickness from 8 to 2.5 μm, and the effect of PrO x infiltration into the LSCF–GDC cathode. Both of these measures are effective, particularly at lower temperatures, leading to an increase in the maximum power density at 650 °C from 0.4 to 0.95 W cm –2 , for example. Electrochemical impedance spectroscopy utilizing subtractive analysis shows that PrO x enhances the cathode charge transfer process. Reducing the electrolyte thickness reduces not only the cell ohmic resistance but also the electrode polarization resistance. Furthermore, the latter effect appears to be an artifact associated with a slight increase in the steam partial pressure at the anode due to minor gas leakage across the thinner electrolyte.

25 ENERGY STORAGE↗
DOE OSTI2020

Conservation Voltage Reduction (CVR) via Two-Timescale Control in Unbalanced Power Distribution Systems

Voltage control devices are employed in power distribution systems to reduce the power consumption by operating the system closer to the lower acceptable voltage limits; this technique is called conservation voltage reduction (CVR). The different modes of operation for system’s legacy devices (with binary control) and new devices (e.g. smart inverters with continuous control) coupled with variable photovoltaic (PV) generation results in voltage fluctuations which makes it challenging to achieve CVR objective. This paper presents a two-timescale control of feeder’s voltage control devices to achieve CVR that includes (1)a centralized controller operating in a slower time-scale to coordinate voltage control devices across the feeder and (2) local controllers operating in a faster timescale to mitigate voltage fluctuations due to PV variability. The centralized controller utilizes a three-phase optimal power flow model to obtain the decision variables for both legacy devices and smart inverters. The local controllers operate smart inverters to minimize voltage fluctuations and restore nodal voltages to their reference values by adjusting the reactive power support. The proposed approach is validated using the IEEE-123 bus (medium-size) and R3-12.47-2 (large-size) feeders. It is demonstrated that the proposed approach is effective in achieving the CVR objective for unbalanced distribution systems.

optimal control, distributed generation, fluctuati↗
DOE OSTI2016

Intrinsic emittance reduction in transmission mode photocathodes

High quantum efficiency (QE) and low emittance electron beams provided by multi-alkali photocathodes make them of great interest for next generation high brightness photoinjectors. Spicer’s three-step model well describes the photoemission process; however, some photocathode characteristics such as their thickness have not yet been completely exploited to further improve the brightness of the generated electron beams. Here, we report on the emittance and QE of a multi-alkali photocathode grown onto a glass substrate operated in transmission and reflection modes at different photon energies. We observed a 20% reduction in the intrinsic emittance from the reflection to the transmission mode operation. This observation can be explained by inelastic electron-phonon scattering during electrons’ transit towards the cathode surface. Due to this effect, we predict that thicker photocathode layers will further reduce the intrinsic emittance of electron beams generated by photocathodes operated in transmission mode.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N 2 reduction

Significance This report critically evaluates the mechanism by which nitrogenase cleaves the N≡N triple bond. It assesses the thermodynamic driving force provided by the accompanying, apparently “wasteful,” reductive elimination of an H 2 , and explains how the enzyme mechanistically couples exothermic H 2 formation to endothermic triple-bond cleavage in a nearly thermoneutral equilibrium process, thereby preventing the “futile” generation of two H 2 without N 2 reduction. This evaluation rests on a critical assessment of the density functional theory flavors needed to properly treat nitrogenase, and a demonstration that to prevent spurious disruption of FeMo-co upon 4[ e − /H + ] accumulation, one must employ a nitrogenase structural model that includes all residues interacting directly with FeMo-co, either via specific H-bond interactions, nonspecific electrostatic interactions, or steric confinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A NEW REDUCTION OF THE BLANCO COSMOLOGY SURVEY: AN OPTICALLY SELECTED GALAXY CLUSTER CATALOG AND A PUBLIC RELEASE OF OPTICAL DATA PRODUCTS

The Blanco Cosmology Survey is a four-band (griz) optical-imaging survey of ∼80 deg{sup 2} of the southern sky. The survey consists of two fields centered approximately at (R.A., decl.) = (23{sup h}, –55°) and (5{sup h}30{sup m}, –53°) with imaging sufficient for the detection of L {sub *} galaxies at redshift z ≤ 1. In this paper, we present our reduction of the survey data and describe a new technique for the separation of stars and galaxies. We search the calibrated source catalogs for galaxy clusters at z ≤ 0.75 by identifying spatial over-densities of red-sequence galaxies and report the coordinates, redshifts, and optical richnesses, λ, for 764 galaxy clusters at z ≤ 0.75. This sample, >85% of which are new discoveries, has a median redshift of z = 0.52 and median richness λ(0.4 L {sub *}) = 16.4. Accompanying this paper we also release full survey data products including reduced images and calibrated source catalogs. These products are available at http://data.rcc.uchicago.edu/dataset/blanco-cosmology-survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Dimensional reduction and ionic gating induced enhancement of superconductivity in atomically thin crystals of 2H-TaSe 2

The effects of dimensional reduction and ion intercalation on superconductivity (SC) in the presence of charge density waves (CDWs) in two-dimensional crystals of 2H-TaSe 2 were characterized. We prepared atomically thin crystals by mechanical exfoliation and performed electrical transport measurements on devices made by photolithography. The superconducting transition temperature ($T$ $^{SC}_{c}$) was found to increase monotonically as the thickness decreased, changing from 0.14 K in the bulk to higher than 1.4 K for a 3-nm-thick crystal. Here, the temperature dependence of upper critical field was found to be anomalous. The CDW transition temperature ($T$ $^{CDW}_{c}$) was found to decrease, but to a less extent than $T$ $^{SC}_{c}$, from 120 K in the bulk to around 113 K for the 3-nm-thick crystal. In addition, ion intercalation was found to increase $T$ $^{SC}_{c}$ and suppress $T$ $^{CDW}_{c}$ in an atomically thin crystal of 2H-TaSe 2 . The implications of these findings are discussed. We suggest that dimensional reduction and ion intercalation are potentially effective ways to engineer material properties for layered transition metal chalcogenides.

2D material↗
DOE OSTI2018

Band-Gap Reduction in ( Bi Cr O 3 ) m / ( Bi Fe O 3 ) n Superlattices: Designing Low-Band-Gap Ferroelectrics

Ferroelectric BiFeO 3 is promising for photovoltaic applications, especially in regard to the exploitation of ferroelectric photovoltaic effects for charge separation. However, its large band gap limits efficient sunlight absorption. Here, we demonstrate a new strategy to effectively tune the band gap of tetragonal BiFeO 3 via superlattice structuring with the ferroelectric BiCrO 3 . The (BiCrO 3 ) m /(BiFeO 3 ) n superlattices are found to exhibit conventional ferroelectric properties, but low fundamental band gaps, smaller than either of the parent materials. First-principles calculations reveal that the unexpected band-gap reduction is induced by charge reconstruction due to lattice strain, octahedral distortion, and polarization discontinuity at the BiCrO3-BiFeO 3 interfaces. Ultimately, these results provide a new strategy, in the form of superlattice structuring, which could open the door to the creation of efficient ferroelectric photovoltaics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Stoner versus Heisenberg: Ultrafast exchange reduction and magnon generation during laser-induced demagnetization

Understanding how the electronic band structure of a ferromagnetic material is modified during laser-induced demagnetization on femtosecond timescales has been a long-standing question in condensed matter physics. Here, we use ultrafast high harmonics to measure time-, energy-, and angle-resolved M-edge magnetic asymmetry spectra for Co lms after optical pumping to induce ultrafast demagnetization. This provides a complete data set that we can compare with advanced ab initio magneto-optical calculations. Here, tur analysis identifies that the dominant mechanisms contributing to ultrafast demagnetization on timescales up to several picoseconds are a transient reduction in the exchange splitting and the excitation of ultrafast magnons. Surprisingly, we nd that the magnon contribution to ultrafast demagnetization is already strong on sub-picosecond timescales, while the reduction in exchange splitting persists to several picoseconds.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Exponential reduction of finite volume effects with twisted boundary conditions

Here, flavor-twisted boundary conditions can be used for exponential reduction of finite volume artifacts in flavor-averaged observables in lattice QCD calculations with S U ( N f ) light quark flavor symmetry. Finite volume artifact reduction arises from destructive interference effects in a manner closely related to the phase averaging which leads to large N c volume independence. With a specific choice of flavor-twisted boundary conditions, finite volume artifacts for flavor-singlet observables in a hypercubic spacetime volume are reduced to the size of finite volume artifacts in a spacetime volume with periodic boundary conditions that is four times larger.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Significant Reduction of Lattice Thermal Conductivity by the Electron-Phonon Interaction in Silicon with High Carrier Concentrations: A First-Principles Study

The electron-phonon interaction is well known to create major resistance to electron transport in metals and semiconductors, whereas fewer studies are directed to its effect on phonon transport, especially in semiconductors. Herein we calculate the phonon lifetimes due to scattering with electrons (or holes), combine them with the intrinsic lifetimes due to the anharmonic phonon-phonon interaction, all from first principles, and evaluate the effect of the electron-phonon interaction on the lattice thermal conductivity of silicon. Unexpectedly, we find a significant reduction of the lattice thermal conductivity at room temperature as the carrier concentration goes above 1019 cm –3 (the reduction reaches up to 45% in p-type silicon at around 1021 cm –3 ), a range of great technological relevance to thermoelectric materials.

42 ENGINEERING↗