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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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Search for high-mass dilepton resonances using 139 fb(-1) of pp collision data collected at root s=13 TeV with the ATLAS detector
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Curing behavior, chain dynamics, and microstructure of high Tg thiol-acrylate networks with systematically varied network heterogeneity
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High Methane Storage Capacity in Aluminum Metal-Organic Frameworks
The use of porous materials to store natural gas in vehicles requires large amounts of methane per unit of volume. Here we report the synthesis, crystal structure and methane adsorption properties of two new aluminum metal–organic frameworks, MOF-519 and MOF-520. Both materials exhibit permanent porosity and high methane volumetric storage capacity: MOF-519 has a volumetric capacity of 200 and 279 cm 3 cm –3 at 298 K and 35 and 80 bar, respectively, and MOF-520 has a volumetric capacity of 162 and 231 cm 3 cm –3 under the same conditions. Furthermore, MOF-519 exhibits an exceptional working capacity, being able to deliver a large amount of methane at pressures between 5 and 35 bar, 151 cm 3 cm –3 , and between 5 and 80 bar, 230 cm 3 cm –3 .
Conductive two-dimensional titanium carbide ‘clay’ with high volumetric capacitance
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High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cells
Three-dimensional organic–inorganic perovskites have emerged as one of the most promising thin-film solar cell materials owing to their remarkable photophysical properties, which have led to power conversion efficiencies exceeding 20 per cent, with the prospect of further improvements towards the Shockley– Queisser limit for a single-junction solar cell (33.5 per cent). Besides efficiency, another critical factor for photovoltaics and other optoelectronic applications is environmental stability and photostability under operating conditions. In contrast to their three-dimensional counterparts, Ruddlesden–Popper phases—layered two-dimensional perovskite films—have shown promising stability, but poor efficiency at only 4.73 per cent. This relatively poor efficiency is attributed to the inhibition of out-of-plane charge transport by the organic cations, which act like insulating spacing layers between the conducting inorganic slabs. Here we overcome this issue in layered perovskites by producing thin films of near-single-crystalline quality, in which the crystallographic planes of the inorganic perovskite component have a strongly preferential out-of-plane alignment with respect to the contacts in planar solar cells to facilitate efficient charge transport. We report a photovoltaic efficiency of 12.52 per cent with no hysteresis, and the devices exhibit greatly improved stability in comparison to their three-dimensional counterparts when subjected to light, humidity and heat stress tests. Unencapsulated two-dimensional perovskite devices retain over 60 per cent of their efficiency for over 2,250 hours under constant, standard (AM1.5G) illumination, and exhibit greater tolerance to 65 per cent relative humidity than do three-dimensional equivalents. When the devices are encapsulated, the layered devices do not show any degradation under constant AM1.5G illumination or humidity. Finally, we anticipate that these results will lead to the growth of single-crystalline, solution-processed, layered, hybrid, perovskite thin films, which are essential for high performance opto-electronic devices with technologically relevant long-term stability.
A Highly-Active and Stable Hydrogen Evolution Catalyst Based on Pyrite-Structured Cobalt Phosphosulfide
Abstract not provided
Glucose and Fructose to Platform Chemicals: Understanding the Thermodynamic Landscapes of Acid-Catalysed Reactions Using High-Level ab Initio Methods
Molecular level understanding of acid-catalysed conversion of sugar molecules to platform chemicals such as hydroxy-methyl furfural (HMF), furfuryl alcohol (FAL), and levulinic acid (LA) is essential for efficient biomass conversion. In this paper, the high-level G4MP2 method along with the SMD solvation model is employed to understand detailed reaction energetics of the acid-catalysed decomposition of glucose and fructose to HMF. Based on protonation free energies of various hydroxyl groups of the sugar molecule, the relative reactivity of gluco-pyranose, fructo-pyranose and fructo-furanose are predicted. Calculations suggest that, in addition to the protonated intermediates, a solvent assisted dehydration of one of the fructo-furanosyl intermediates is a competing mechanism, indicating the possibility of multiple reaction pathways for fructose to HMF conversion in aqueous acidic medium. Two reaction pathways were explored to understand the thermodynamics of glucose to HMF; the first one is initiated by the protonation of a C2–OH group and the second one through an enolate intermediate involving acyclic intermediates. Additionally, a pathway is proposed for the formation of furfuryl alcohol from glucose initiated by the protonation of a C2–OH position, which includes a C–C bond cleavage, and the formation of formic acid. The detailed free energy landscapes predicted in this study can be used as benchmarks for further exploring the sugar decomposition reactions, prediction of possible intermediates, and finally designing improved catalysts for biomass conversion chemistry in the future.
Investigation of the high-temperature redox chemistry of Sr 2 Fe 1.5 Mo 0.5 O 6-δ via in situ neutron diffraction
The composition of Sr 2 Fe 1.5 Mo 0.5 O 6-δ , a SOFC electrode material, is investigated by neutron diffraction in both highly oxidizing and reducing conditions, and correlated with measured physical properties.
Elucidation of the surface characteristics and electrochemistry of high-performance LiNiO 2
Phase pure LiNiO 2 was prepared using a solid-state method and the optimal synthesis conditions led to a remarkably high capacity of 200 mA h g $-$1 with excellent retention. The combination of bulk and surface characterization elucidated an essential role of the excess Li in phase formation during synthesis and the subsequent electrochemical performance.
High-rate cathode CrSSe based on anion reactions for lithium-ion batteries
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Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films
Non-equilibrium state defines physical properties of materials in many technologies, including architectural, metallic, and semiconducting amorphous glasses. In contrast, crystalline electronic and energy materials, such as transparent conductive oxides (TCO), are conventionally thought to be in equilibrium. Here, we demonstrate that high electrical conductivity of crystalline Ga-doped ZnO TCO thin films occurs by virtue of metastable state of their defects. These results imply that such defect metastability may be important in other functional oxides. This finding emphasizes the need to understand and control non-equilibrium states of materials, in particular, their metastable defects, for the design of novel functional materials.
A method to determine fault vectors in 4H-SiC from stacking sequences observed on high resolution transmission electron microscopy images
A new method has been developed to determine the fault vectors associated with stacking faults in 4H-SiC from their stacking sequences observed on high resolution TEM images. This method, analogous to the Burgers circuit technique for determination of dislocation Burgers vector, involves determination of the vectors required in the projection of the perfect lattice to correct the deviated path constructed in the faulted material. Results for several different stacking faults were compared with fault vectors determined from X-ray topographic contrast analysis and were found to be consistent. This technique is expected to applicable to all structures comprising corner shared tetrahedra.
Search for Point-Like Sources of Ultra-High Energy Neutrinos at the Pierre Auger Observatory and Improved Limit on the Diffuse Flux of Tau Neutrinos
Abstract Not Provided
Highly anisotropic thermal expansion in molecular films of dicarboxylic fatty acids
Not Available
Nanoscale coherent intergrowthlike defects in a crystal of La{1.0}Ca{1.1}Cu{2}O{6+delta} made superconducting by high-pressure oxygen annealing
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