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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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QSPR analyses can be used to identify useful descriptors leading to statistical models for membrane crossover. This data-driven approach can be used to evaluate ROMs for asymmetric non-aqueous redox flow batteries.
Solid-state amine absorbent materials, including those containing guanidine derivatives, have received tremendous attention as the world combats the challenges of climate change.
Supercapacitors are widely recognized as a favorable option for energy storage due to their higher power density compared to batteries, despite their lower energy density.
Isoindoline-based chelates, in particular bis(arylimino)isoindolines, have shown extensive metal binding chemistry. Although this chemistry has been explored for the middle and late transition metal ions, little work has been carried out on early transition metal complexes. In this article, we present the first examples of vanadium coordinated using four bis(arylimino)isoindolines, in which the aryl groups are pyrazole, indazole, benzimidazole, and pyridine (ligands 1–4 , respectively). We isolated five complexes using vanadyl sulfate or vanadyl acetylacetonate as the vanadium source. In all cases, the ligands bound in a meridional mode, and for four of the complexes, the vanadium ion was observed in the V(v) oxidation state. Three of the ligands ( 1–3 ) formed VO 2 complexes with vanadyl sulfate and vanadyl acetylacetonate, but the bis(pyridylimino)isoindoline (ligand 4 ) formed a V(v) oxosulfonato complex with the former starting material and a vanadyl V(iv) acetylacetonate with the latter starting material. All metal compounds were structurally elucidated by X-ray crystallographic methods, and we probed their electronic structures using DFT methods.
We propose a universal solid electrolyte design that broadens the selection of ceramic LICs for solid-state lithium metal batteries, without requirements of electronic insulation or (electro)chemical stability.
PAL 2.0 provides an efficient discovery tool for advanced functional materials, ameliorating a major bottleneck to enabling advances in next-generation energy, health, and sustainability technologies.
We introduce HANNA, the first hybrid neural network model that strictly complies with all thermodynamic consistency criteria for predicting activity coefficients and outperforms current benchmark methods in terms of accuracy and applicability.
Ligand-passivated ErOCl nanocrystals have been synthesized using a non-hydrolytic sol–gel method. Anisotropic sintering of ErOCl nanocrystals enhances 2D chloride-ion diffusion along theabplane, yielding a promising candidate for halide batteries.
This work demonstrates a series of functionalization methods to enhance the utility of thermoplastic-elastomer derived ordered mesoporous carbons, including chemical activation, heteroatom doping, and the introduction of nanoparticles.
A schematic for the preparation of a g-C 3 N 4 -CNT/S composite cathode for lithium–sulfur batteries.
ITRPV silver consumption of standard low-temperature and high-temperature paste as compared to reactive silver ink. As little as 16.4 mg of silver is consumed when a busbarless cell is metallized with reactive silver ink.
Optimizedviamachine learning, extrusion printed thermoelectric materials (BiSbTe) achieve an ultrahighzTof 1.3 at room temperature.
This study examines the intricate area of refractory-based high entropy alloys (RHEAs), focusing on a series of complex compositions involving nine diverse refractory elements: Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W.
Using simulations and experiments, we propose a protocol for the programmable templated self-assembly of light-activated self-propelled particles. Additionally, we identify the scaling relations for the assembly's characteristic times.
Adding small amounts of CO 2 or H 2 O to methane pyrolysis boosts hydrogen and carbon yieldsviacyclic catalyst regeneration, enabling efficient low-carbon hydrogen and crystalline carbon production.