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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Pushing the efficiency limit of low-cost, industrially relevant Si solar cells to > 22.5% by advancing cell structures and technology innovations (Final Report)

The overall objective of this program is to achieve ~23% bifacial n-type cell efficiencies by developing and implementing optimized homogeneous or selective boron (B) emitter on front and tunnel oxide passivated contact (TOPCon) on rear side, in combination with advanced fine-line screen-printing metallization with floating busbars. During this research project, first we developed a technology roadmap to drive the 21% n-PERT cell efficiency from 21% to 23% by transforming the cell design to n-TOPCon and establishing the requirements for each layer, including B emitter, rear n-TOPCon, n-base Si and screen-printed contacts. Next, consistent with our roadmap, we developed advanced homogeneous implanted B emitter (150-180 Ω/⌫) passivated with ALD Al 2 O 3 layer capped with PECVD SiN x /SiO x double-layer antireflection coating This gave a very low recombination current density of 10-15 fA/cm 2 prior to metallization. In addition, we demonstrated metallized recombination current density of ~31 fA/cm 2 for this advanced homogeneous B emitter with industrial screen-printed, fire-through contacts with 40 μm wide grid lines, floating busbars and implementation of an advanced Ag-Al paste which resulted in local or reduced area metal-Si contact under the grid lines with virtually no emitter surface etching. This paste reduced the full area metallized J oe,metal from >1100 fA/cm 2 to ~700 fA/cm 2 . We also developed novel processes for the formation of p + /p ++ selective B emitter by a) single B diffusion with selective etch back and b) two-steps diffusion with implanted B in field region and APCVD B diffusion under the metal grid. We achieved very low un-metallized recombination current density (J 0 ) of ~18 fA/cm 2 for the selective p ++ p + emitters (30/150 Ω/⌫) and metallized J 0 of ~28 fA/cm 2 with ~3% screen-printed metal contact to p ++ regions. Next, we developed the technology for n-TOPCon by growing phosphorus-doped LPCVD and PECVD poly-Si on top of ~ 15Å chemically grown (NAO) tunnel oxide. After an optimized anneal at 875 °C for 30 min, passivated n-TOPCon have unmetallized J 0 of ~ 5 fA/cm 2 which went down further to ~ 1 fA/cm 2 after a 700 Å SiN x capping layer and simulated contact firing cycle at 770 °C. After screen-printed fire-through metallization on this n-TOPCon with ~13% metal coverage, metallized J 0 value increased to only ~5 fA/cm 2 which is among the lowest reported value to the best of our knowledge for screen-printed metallization. Finally, we integrated all the above technology innovations and enhancements and demonstrated low-cost manufacturable screen-printed n-TOPCon bifacial Si solar cell with ~23% efficiencies. Based on the experimental and theoretical understanding developed in this project, we have developed a new technology roadmap that shows that implementation of busbarless contacts, 10-20 ms bulk lifetime Si, and selective B emitter or selective TOPCon on the front can drive ~23% efficient cells achieved in this research to ~25% at low-cost.

14 SOLAR ENERGY↗
DOE OSTI2021

Ferroelectricity in boron-substituted aluminum nitride thin films

This manuscript demonstrates ferroelectricity in B-substituted AlN thin films and a complementary set of first-principles calculations to understand their structure-property relationships. Al 1–x B x N films are grown by dual-cathode reactive magnetron sputtering on (110)W/(001)Al 2 O 3 substrates at 300°C at compositions spanning x = 0 to x = 0.20. X-ray diffraction studies indicate a decrease in both the c and a lattice parameters with increasing B concentration, resulting in a decrease in unit cell volume and a constant c/a axial ratio of 1.60 over this composition range. Films with 0.02 ≤ x ≤ 0.15 display ferroelectric switching with remanent polarizations exceeding 125 μCcm –2 while maintaining band gap energies of > 5.2eV. The large band gap allows low frequency hysteresis measurement (200 Hz) with modest leakage contributions. At B concentrations of x > 0.15, c-axis orientation deteriorates and ferroelectric behavior is degraded. Furthermore, density-functional theory calculations corroborate the structural observations and provide predictions for the wurtzite u parameter, polarization reversal magnitudes, and composition-dependent coercive fields.

36 MATERIALS SCIENCE↗
DOE OSTI2021

TMEM2 binds to CSNK2A3 to inhibit HBV infection via activation of the JAK/STAT pathway

To investigate mechanisms that TMEM2 activation inhibits hepatitis B virus (HBV) infection in hepatocarcinoma (HCC) cells, co-immunoprecipitation (Co-IP) and mass spectrometry were used in screening interacting proteins for TMEM2. Levels of casein kinase 2 subunit α3 (CSNK2A3) in HCC cells were found to be inhibited or overexpressed using siRNAs and pcDNA3.1-CSNK2A3, respectively. Effect of CSNK2A3 expression on cell proliferation was analyzed using MTS, while its effect on HBV infection was measured using ddPCR and IHC. Western blotting and JAK inhibitor ruxolitinib were also used to determine whether TMEM2-regulated CSNK2A3 expression and HBV infection were affected by JAK-STAT signaling. Co-IP and mass spectrometry results showed that CSNK2A3 interacts with TMEM2. Moreover, overexpression of CSNK2A3 significantly inhibited cell proliferation, while inhibition of CSNK2A3 promoted proliferation of HCC cells. In addition, overexpression of CSNK2A3 was observed to significantly enhance HBV infection, while siRNA knockdown of CSNK2A3 inhibited HBV infection. Notably, effect of CSNK2A3 overexpression on HBV infection was suppressed by TMEM2 overexpression. Further mechanistic analyses have revealed that TMEM2 could antagonize the effects of CSNK2A3 on cell proliferation and HBV infection via JAK-STAT pathway activation. In conclusion, TMEM2 has been determined to bind to CSNK2A3 to inhibit HBV infection via activation of the JAK-STAT pathway.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO 4 (Ha = Cl, Br; VI = Mo, W)

Four heteroanionic oxyhalides, CeClMoO 4 , CeBrMoO 4 , CeClWO 4 , and CeBrWO 4 , have been studied as multifunctional materials, which show a combination of good second harmonic generation (SHG) response and photocurrent signals. Millimeter-sized CeHaVIO 4 (Ha = Cl, Br; VI = Mo, W) crystals were grown by halide salt flux. The crystal structure of CeHaVIO 4 crystals was accurately determined by single-crystal X-ray diffraction. CeClMoO 4 , CeBrMoO 4 , and CeBrWO 4 are isostructural to each other, and crystallize in the acentric LaBrMoO 4 structure type. CeClWO 4 crystallizes in a new structure type with unit cell parameters of a = 19.6059(2) Å, b = 5.89450(10) Å, c = 7.80090(10) Å, and β = 101.4746(8)°. The bandgaps of CeHaVIO 4 fall into the range of 2.8(1)–3.1(1) eV, which are much smaller than those of isotypic LaHaVIO 4 (Ha = Cl, Br; VI = Mo, W) in the range of 3.9(1)–4.3(1) eV. The narrowing of bandgaps in CeHaVIO 4 originates from the presence of partially filled 4f orbitals of cerium atoms, which was confirmed by density functional theory (DFT) calculations. The moderate bandgaps make CeHaVIO 4 suitable for infrared nonlinear optical (IR NLO) applications. CeBrMoO 4 and CeBrWO 4 exhibit moderate SHG responses of 0.58× AGS and 0.46× AGS, respectively, and are both type-I phase-matching materials. Moderate SHG response, easy growth of crystals, high ambient stability, and type-I phase-matching behavior make CeBrMoO 4 and CeBrWO 4 great materials for IR NLO applications. CeHaVIO 4 films also exhibited good photocurrent response upon light radiation. Furthermore, this work demonstrates the rich structural chemistry of the REHaVIO 4 (RE = Y, La–Lu; Ha = Cl, Br; VI = Mo, W) family and the potential presence of more multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ba5Sb8: The Highest Homologue of the Family of Binary Semiconducting Barium Antimonides BanSb2n−2 (n ≥ 2)

A novel binary compound within the Ba–Sb phase diagram, Ba5Sb8, was synthesized by combining elements with an excess of Sb in an alumina crucible. Structural elucidation was performed using single-crystal X-ray diffraction. This compound crystallizes in the orthorhombic space group Fdd2 with unit cell parameters of a = 15.6568(13) Å, b = 35.240(3) Å, c = 6.8189(6) Å, adopting its own structure type. The most distinctive features of the structure are the eight-membered [Sb8]10− polyanionic fragments which have no known precedents among antimonides. They are separated by five Ba2+ cations, which afford the charge balance and enable adherence to the Zintl–Klemm formalism. Ba5Sb8 is the highest known member of the homologous series within the family of barium antimonides BanSb2n−2 (n ≥ 2), all of which boast anionic substructures with oligomeric moieties of pnictogen atoms with varied lengths and topologies. Electronic structure calculations indicate an indirect narrow bandgap of ca. 0.45 eV, which corroborates the valence-precise chemical bonding in Ba5Sb8.

Samarakoon, S. M. Gayomi K.↗
DOE OSTI2024

Stent with expandable foam

A system comprising first, second, and third shape memory polymers (SMPs); wherein (a) the first SMP is a biodegradable open cell foam that includes a first channel; (b) the second SMP includes a second channel and is included in the first channel; (c) the foam is in a first state and is configured to expand to a second state, radially outward from the second foam, in response to thermal stimulus; (d) the third SMP is between the first and second SMPs and includes a stent having a first strut that includes the third SMP and a second strut that includes the third SMP; and (e) each of the first, second, and third SMPs is coupled to a wire.

Wilson, Thomas S.↗
DOE OSTI2021

FOXM1-activated SIRT4 inhibits NF-κB signaling and NLRP3 inflammasome to alleviate kidney injury and podocyte pyroptosis in diabetic nephropathy

Highlights: • FOXM1 is downregulated in kidney tissues of patients with DN. • Overexpression of FOXM1 alleviates kidney injury in DN modeled mice. • Overexpression of FOXM1 reduces pyroptosis of HG-treated podocytes. • FOXM1 activates SIRT4 to inhibit the NFκB pathway and the NLRP3 inflammasome. • Downregulation of SIRT4 blocks the protective roles of FOXM1 in podocytes and mice. Forkhead box M1 (FOXM1) has been reported to play a protective role against acute kidney injury by driving tubular regeneration. This study aims to probe the function of FOXM1 in diabetic nephropathy (DN) and the molecules involved. FOXM1 was poorly expressed in DN-diseased kidney tissues. A murine model of DN was established, and podocytes cells (MPC5) were treated with high-glucose (HG) for in vitro studies. FOXM1 overexpression improved kidney function and reduced pathological changes in mice, and it increased the expression of the podocyte marker Nephrin in kidney tissues. In vitro, FOXM1 increased viability and reduced pyroptosis of the HG-treated MPC5 cells, and it elevated the expression of the podocyte marker Nephrin whereas reduced the expression of pyroptosis-related NLRP3 inflammasome and cleaved caspase 1. FOXM1 bound to the promoter of sirtuin 4 (SIRT4) to induce transcriptional activation. Downregulation of SIRT4 blocked the protective roles of FOXM1 both in vivo and in vitro. Phosphorylation of nuclear factor-kappa B (NF-κB) in HG-treated cells was suppressed by FOXM1 but restored after SIRT4 inhibition. In conclusion, this study suggested that FOXM1 transcriptionally activates SIRT4 and inhibits NF-κB signaling and the NLRP3 inflammasome to alleviate kidney injury and podocyte pyroptosis in DN.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Cellulose synthesis complexes are homo-oligomeric and hetero-oligomeric in Physcomitrium patens

The common ancestor of seed plants and mosses contained homo-oligomeric cellulose synthesis complexes (CSCs) composed of identical subunits encoded by a single CELLULOSE SYNTHASE (CESA) gene. Seed plants use different CESA isoforms for primary and secondary cell wall deposition. Both primary and secondary CESAs form hetero-oligomeric CSCs that assemble and function in planta only when all the required isoforms are present. The moss Physcomitrium (Physcomitrella) patens has seven CESA genes that can be grouped into two functionally and phylogenetically distinct classes. Previously, we showed that PpCESA3 and/or PpCESA8 (class A) together with PpCESA6 and/or PpCESA7 (class B) form obligate hetero-oligomeric complexes required for normal secondary cell wall deposition. Here, we show that gametophore morphogenesis requires a member of class A, PpCESA5, and is sustained in the absence of other PpCESA isoforms. Further, PpCESA5 also differs from the other class A PpCESAs as it is able to self-interact and does not co-immunoprecipitate with other PpCESA isoforms. These results are consistent with the hypothesis that homo-oligomeric CSCs containing only PpCESA5 subunits synthesize cellulose required for gametophore morphogenesis. Analysis of mutant phenotypes also revealed that, like secondary cell wall deposition, normal protonemal tip growth requires class B isoforms (PpCESA4 or PpCESA10), along with a class A partner (PpCESA3, PpCESA5, or PpCESA8). Thus, P. patens contains both homo-oligomeric and hetero-oligomeric CSCs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Critical role of acceptor dopants in designing highly stable and compatible proton-conducting electrolytes for reversible solid oxide cells

Proton-conducting electrolytes are receiving increasing attention due to their high ionic conductivity at intermediate temperatures, enabling the operation of solid oxide cells with high energy efficiency at low cost. However, the effect of B-site dopants on the properties of doped barium hafnate-cerate electrolyte materials, especially in single cells under operating conditions, has not been systematically studied. Here we report our findings in the development of a series of proton-conducting electrolytes with a general formula of BaHf 0.1 Ce 0.7 R 0.2 O 3–δ (BHCR172, R = Yb, Er, Y, Gd, Sm). Here, the results reveal that electrical conductivity, ionic transference number, chemical stability against steam and CO 2 , and compatibility with NiO during sintering are all closely correlated with the dopant size. In particular, the reaction with NiO is found to strongly affect the properties of the electrolytes and hence cell performance. Among all tested compositions, BaHf 0.1 Ce 0.7 Yb 0.2 O 3–δ (BHCYb172) shows excellent chemical stability and minimal reactivity towards NiO, as predicted from density functional theory (DFT)-based calculations and confirmed by experimental results. In addition, proton-conducting reversible solid oxide cells (P-ReSOCs) based on the optimized electrolyte composition, BHCYb172, demonstrate exceptional performance and stability, achieving a remarkable peak power density of 1.74 W cm –2 (O 2 as the oxidant) at 600 °C in the fuel cell mode and a high current density of 2.0 A cm –2 at 1.3 V and 600 °C in the steam electrolysis mode while maintaining excellent durability for over 1000 h.

25 ENERGY STORAGE↗
DOE OSTI2022

The rate of microtubule breaking increases exponentially with curvature

Microtubules, cylindrical assemblies of tubulin proteins with a 25 nm diameter and micrometer lengths, are a central part of the cytoskeleton and also serve as building blocks for nanobiodevices. Microtubule breaking can result from the activity of severing enzymes and mechanical stress. Breaking can lead to a loss of structural integrity, or an increase in the numbers of microtubules. We observed breaking of taxol-stabilized microtubules in a gliding motility assay where microtubules are propelled by surface-adhered kinesin-1 motor proteins. We find that over 95% of all breaking events are associated with the strong bending following pinning events (where the leading tip of the microtubule becomes stuck). Furthermore, the breaking rate increased exponentially with increasing curvature. These observations are explained by a model accounting for the complex mechanochemistry of a microtubule. The presence of severing enzymes is not required to observe breaking at rates comparable to those measured previously in cells.

42 ENGINEERING↗
DOE OSTI2020

Pulsed studies of intervalley transfer in Al 0.35 In 0.65 As: A paradigm for valley photovoltaics

Al 0.35 In 0.65 As is a direct semiconductor whose multivalley conduction-band structure has been proposed for use in so-called valley photovoltaics. In such hot-carrier solar cells, energetic (hot) photocarriers are stored in satellite valleys away from the Γ point, allowing them to be extracted prior to thermalization and to thereby increase power-conversion efficiency. While prior theoretical work has highlighted the potential of Al 0.35 In 0.65 As—a widely used barrier material in electronic and optoelectronic devices, for use in valley photovoltaics—surprisingly little is known about its electrical properties, especially how these are impacted by the application of high fields. In this work, we therefore undertake a detailed characterization of the electrical properties of Te-doped ($\textit{n}$-type) Al 0.35 In 0.65 As, over wide ranges of temperature (3–400 K) and electric field (<50 kV/cm). Using pulsed measurements to suppress the influence of Joule heating, we reveal the presence of clear negative-differential conductance in the current-voltage characteristics of the films, suggestive of the intervalley transfer of hot electrons. This conclusion is supported by the results of ensemble Monte Carlo simulations of the hot-carrier action, which confirm the connection of the observed negative-differential conductance to hot-electron transfer from the conduction-band (Γ) minimum, to the side valleys at the $\textit{L}$ point. Further, the quantitative features of the experimentally determined velocity-field curves are found to be in good agreement with the results of these calculations, providing further confidence in the role of the implied intervalley transfer mechanism. Overall, these results confirm the excellent potential of Al 0.35 In 0.65 As for use as the absorber material in hot-carrier solar cell technology.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Improvements in the Sample Space for the Backscattering Silicon Spectrometer (BASIS)

The increase in neutron flux at the Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS), currently operating at 2.0 MW proton beam power, has created new opportunities for higher-throughput neutron scattering experiments while also increasing the importance of minimizing background scattering and optimizing sample-environment operations. To address these challenges on the Backscattering Silicon Spectrometer (BA-SIS), several upgrades were developed and evaluated, including boron carbide (B₄C) masking for flat-plate sample containers, multi-cell sample holders used with a vertically translating sample stick, and an automated helium pump and purge (HPP) system for closed-cycle refrigerators. Neutron diffraction measurements demonstrate that B₄C masks reduce background scattering by 49–67%, outperforming both borated aluminum and boron nitride masks while introducing no additional Bragg reflections within the instrument’s accessible Q-range. Commissioning tests of a double-cell flat-plate sample contain-er showed no measurable crosstalk between adjacent sample compartments and con-firmed stable thermal performance, enabling multiple samples to be measured without re-peated temperature cycling. In addition, the automated HPP system provided reproducible sample-space gas handling with approximately ±1 mbar precision while reducing the need for operator intervention and supporting remote operation. Together, these developments improve signal-to-noise performance, increase experimental throughput, and enhance operational efficiency at BASIS, supporting the instrument’s continued operation under higher neutron flux conditions.

Jalarvo, Niina [ORNL] (ORCID:0000000306446866)↗
DOE OSTI2023

B—N–Bond–Embedded Triplet Terpolymers with Small Singlet–Triplet Energy Gaps for Suppressing Non–Radiative Recombination and Improving Blend Morphology in Organic Solar Cells

Suppressing the photon energy loss (E loss ), especially the non-radiative loss, is of importance to further improve the device performance of organic solar cells (OSCs). However, typical π-conjugated semiconductors possess a large singlet–triplet energy gap (ΔE ST ), leading to a lower triplet state than charge transfer state and contributing to a non-radiative loss channel of the photocurrent by the triplet state. Herein, a series of triplet polymer donors are developed by introducing a BNIDT block into the PM6 polymer backbone. Further, the high electron affinity of BNIDT and the opposite resonance effect of the B—N bond in BNIDT results in a lowered highest occupied molecular orbital (HOMO) and a largely reduced ΔE ST . Moreover, the morphology of the active blends is also optimized by fine-tuning the BNIDT content. Therefore, non-radiative recombination via the terminal triplet loss channels and morphology traps is effectively suppressed. The PNB-3 (with 3% BNIDT):L8-BO device exhibits both small ΔE ST and optimized morphology, favoring more efficient charge transfer and transport. Finally, the simultaneously enhanced V oc of 0.907 V, J sc of 26.59 mA cm –2 , and FF of 78.86% contribute to a champion PCE of 19.02%. Therefore, introducing B—N bonds into benchmark polymers is a possible avenue toward higher-performance of OSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The Development of Kinetic and Radiation Hydrodynamics Modeling of Thermonuclear Burn Propagation in Isochoric p - 11 B Through the Support of the INFUSE Program

The report summarizes DOE INFUSE-supported work between HB11 Energy and the University of Rochester’s TriForce Institute to improve computational modeling of advanced fusion fuels, especially proton–boron-11 (p- 11 B). The project extended the TriForce particle-in-cell/Monte Carlo collision code to include physics needed for dense, high-temperature p- 11 B burn studies, including p- 11 B fusion reactions, three-alpha-particle reaction products, relativistic Coulomb collisions, large-angle nuclear scattering, bremsstrahlung radiation, inverse bremsstrahlung absorption, and photon transport. The upgraded models were verified against focused physics tests and against known deuterium–tritium burn behavior. The study then used one-dimensional spherical simulations to estimate the conditions required for thermonuclear burn propagation in isochoric p- 11 B fuel. The calculations found that burn propagation is possible in the model, but only under very extreme hot-spot conditions, such as about 7000 g/cm 3 at 500 keV or 9000 g/cm 3 at 300 keV for a 20-micron hot spot. These conditions are much more demanding than current demonstrated inertial confinement fusion hot spots. The report concludes that the INFUSE collaboration successfully advanced kinetic and radiation modeling capabilities for p- 11 B fusion and provided useful estimates of ignition requirements. However, the simulated fuel gains remain below what would be needed for practical inertial fusion energy, and further work is needed to reconcile differences among kinetic, radiation-hydrodynamic, and analytic models and to identify more achievable target designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗