Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Zn”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Wood Carbon Based Single-Atom Catalyst for Rechargeable Zn–Air Batteries

Low-cost and efficient oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) bifunctional electrocatalysts are vital for the applications of rechargeable Zn-air batteries (ZABs). Given the high catalytic activity of single-atom catalysts (SACs), preparing SACs on a large scale for ZABs is desirable but remains challenging. Herein, in situ formation of single-atom Fe-N-C catalysts on plate wood-based porous carbon is achieved via a facile Lewis acid pretreatment and carbonization process. Lewis acid FeCl3 pretreatment on the cell wall of wood not only produces abundant microchannels but also successfully introduces atomically dispersed Fe-N active species into the hierarchical structure. Such uniformly dispersive SACs on the hierarchical structure enhance the ORR/OER performance and durability. A ZAB using the catalyst in the cathode shows a high power density (70.2 mW cm -2 , at quasi solid state) and long-term stability. This work provides a new path for the large-scale preparation of high-performance SACs.

25 ENERGY STORAGE↗
DOE OSTI2025

Design of Zn Chalcogenide Shells for Emissive Ga-Rich In 1– X Ga X As Quantum Dots Synthesized in Molten Salts

Colloidal quantum dots (QDs) have seen expanded applications in optoelectronics from visible to near-infrared (NIR) wavelengths. However, the options for QDs with bright and size-tunable emission in the NIR region are mostly limited to heavy-metal-based (Pb, Cd, Hg) semiconductors. Here, Ga-rich In 1–X Ga X As QDs with zinc chalcogenide shells are demonstrated as candidates for NIR emitters. Based on new developments in inorganic molten salt chemistry, we synthesized colloidal In 1–X Ga X As QDs containing up to 85% gallium with high crystallinity based on Raman and XRD analyses. Zinc selenide and sulfide shells with different morphologies were grown on In 1–X Ga X As QDs by controlling the Zn precursor chemistry. Despite the nominally reduced lattice mismatch in the In 1–X Ga X As/ZnSe heterostructure, a ZnS shell was found to be a much more effective passivation material: In 1–X Ga X As/ZnS core–shell QDs show a photoluminescence quantum yield (PL QY) of about 30% versus 11% for ZnSe shells. In conclusion, based on the analysis of PL decay and transient absorption (TA) dynamics, we surmise that electron trapping is the major reason for efficiency loss, providing a clear heterostructure design principle for realizing efficient NIR-emitting In 1–X Ga X As QDs.

Electron trapping↗
DOE OSTI2021

Emergence of spin singlets with inhomogeneous gaps in the kagome lattice Heisenberg antiferromagnets Zn-barlowite and herbertsmithite

The kagome Heisenberg antiferromagnet formed by frustrated spins arranged in a lattice of corner-sharing triangles is a prime candidate for hosting a quantum spin liquid (QSL) ground state consisting of entangled spin singlets. However, the existence of various competing states makes a convincing theoretical prediction of the QSL ground state difficult, calling for experimental clues from model materials. The kagome lattice materials Zn-barlowite (ZnCu 3 (OD) 6 FBr) and herbertsmithite (ZnCu 3 (OD) 6 Cl 2 ) do not exhibit long-range order and are considered the best realizations of the kagome Heisenberg antiferromagnet known so far. In this study, we use 63 Cu nuclear quadrupole resonance combined with the inverse Laplace transform to locally probe the inhomogeneity of delicate quantum ground states affected by disorder. We present direct evidence for the gradual emergence of spin singlets with spatially varying excitation gaps, but even at temperatures far below the super-exchange energy scale their fraction is limited to ~60% of the total spins. Theoretical models need to incorporate the role of disorder to account for the observed inhomogeneously gapped behaviour.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Magnetic character of the low-energy enhancement in 70 Zn

The transition of an atomic nucleus from an excited state to a state of lower energy is typically accompanied by the emission of photons. The likelihood of photon emission is a function of the photon energy and of properties of the initial and final nuclear states and is known as the photon (or γ-ray) strength function (γSF). Of the features present in the γSF, an enhancement in the low-energy region has been observed in some nuclei, but the electromagnetic nature of this enhancement remains an open question. This low-energy enhancement in the γSF significantly impacts our understanding of how elements are created in stars and the structure of the nucleus. Here we present the results from an experiment on the γSF of 70 Zn that show that the enhancement in the γSF of this nucleus is of magnetic nature. This observation helps address a long-open question about γSFs in atomic nuclei and directly impacts our predictive capabilities in nuclear science.

Physics - Nuclear physics and radiation physics↗
DOE OSTI2020

One-electron redox kinetics of aqueous transition metal couples Zn 2+/+ , Co 2+/+ , and Ni 2+/+ using pulse radiolysis

The one-electron redox potentials for aqueous metal couples Co 2+/+ and Ni 2+/+ have been investigated by using pulse radiolysis using their reactions with a series of reference compounds to establish the most positive upper limits of E 0 . Experiments with Zn + were also carried out to confirm the characteristic shape of the expected reduction kinetics. Both formate ions and t-BuOH were employed to scavenge ˙OH radicals and ˙H atoms. Kinetics and fitted first and second order reaction rates have been reported for reactions with methyl viologen, fluorescein, Ru(NH 3 ) 6 3+ , Co(en) 3 2+ , Co(sepulcrate) 3+ , Ru(bpy) 3 2+ , Cr(bpy)33+, and Ni(Me 6 [14]4,11-dieneN4) 2+ . Previous work demonstrated that both Co 2+ and Ni 2+ can be reduced by CO 2 ˙- radicals, giving a negative E 0 limit of -1.9 V vs. SHE. A definite reaction of Ni + with fluorescein di-anions provides a new upper limit of the Ni 2+/+ couple as -0.906 V vs. SHE. The reaction of Co + with Ru(bpy) 3 2+ has been confirmed, giving E 0 = -1.3 V vs. SHE as a rigorous upper limit of the Co 2+/+ couple. In the case of Co 2+/+ , kinetics were complicated by a self-catalyzed metal clustering phenomenon. Initiation rate constants of this process have also been reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Realization of the Zn 3+ oxidation state

Realizing the Zn +3 oxidation state by interacting with superelectrophilic clusters that are stable gas-phase trianions in their ground states.

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

Luminescent hybrid halides with various centering metal cations (Zn, Cd and Pb) and diverse structures

Organic–inorganic hybrid metal halides have been extensively studied because of their great potential in optoelectronics. Herein, we report three hybrid metal halides (Bmpip) 2 ZnBr 4 , (Bmpip) 2 CdBr 4 , and (Bmpip) 8 Pb 11 Br 30 (where Bmpip + is 1-butyl-1-methyl-piperidinium, C 10 H 22 N + ). (Bmpip) 2 ZnBr 4 and (Bmpip) 2 CdBr 4 crystallize in the P2 1 /c space group with zero-dimensional crystal structures with [MBr 4 ] 2− (M = Zn, Cd) tetrahedra isolated by Bmpip + . (Bmpip) 8 Pb 11 Br 30 crystallizes in the triclinic space group P$\overline{1}$ with combining macron] with one-dimensional corrugated chains constructed from face-sharing [PbBr 6 ] 4− octahedra. Furthermore, all of the compounds exhibit excellent ambient and thermal stability. Under UV excitation, all three compounds exhibit very broad emissions. Temperature-dependent photoluminescence measurements indicate that the broad emissions of (Bmpip) 2 ZnBr 4 and (Bmpip) 2 CdBr 4 can be attributed to both the organic cations and self-trapped excitons (STEs) and that the emission of (Bmpip) 8 Pb 11 Br 30 is assigned to STEs. Density functional theory calculations reveal that the three compounds adopt a direct band gap. This work enriches our understanding of the structure types of hybrid metal halides while revealing their diverse emission mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Stabilized photoemission from organic molecules in zero-dimensional hybrid Zn and Cd halides

This work explores the utilization of a photoactive organic cation for the preparation of R 2 MCl 4 (M = Zn, Cd; R = (E)-4-styrylpyridinium, C 13 H 12 N + ). Here, the zero-dimensional crystal structures of R 2 MCl 4 contain isolated tetrahedral anions [MCl 4 ] 2– separated by the organic cations R + , leading to flat bands around the optical band gap. In R 2 MCl 4 , the inorganic band gaps are sufficiently large to accommodate the organic molecular levels within, and therefore, the optical properties of R 2 MCl 4 are determined by the organic cation. Our combined optical spectroscopy and density functional theory (DFT) studies confirm the attribution of the bright green photoluminescence demonstrated by R 2 MCl 4 to the organic molecular emission. Importantly, the incorporation of the photoemissive organic cation R + into the hybrid framework in R 2 MCl 4 leads to a nearly two-fold enhancement of the light emission efficiency with the measured photoluminescence quantum yield (PLQY) values of 6.04%, 10.40% and 11.21% for RCl, R 2 ZnCl 4 and R 2 CdCl 4 , respectively. In addition, the crystal structure of the hybrid R 2 MCl 4 ensures a stabilized PL emission, preventing the occurrence of the harmful organic photodimerization, which is a notorious problem for this class of organic emitters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Spatial and chemical heterogeneity in aqueous Zn/MnO 2 batteries: role of Zn and Mn containing complexes

Aqueous Zn/MnO 2 batteries are a promising, safe alternative for grid-scale energy storage, owing to their environmentally safe and low-cost nature. The dissolution–deposition reaction mechanism in a mild aqueous pH regime has recently gained significance due to its relevance in battery design. Comprehending both the specific locations and the way reaction progresses is crucial for efficient batteries. This study demonstrates that Zinc Hydroxy Sulfate (ZHS) formed during discharge primarily near the dissolved MnO2 particles. Acting as a host for charge reactants in subsequent cycles, the charge product morphology was visualized using operando X-ray fluorescence microscopy. After ∼400 hours of cycling, capacity fade was linked to the formation of a Zn–Mn core–shell phase which is attributed to an irreversible core phase in the electrode, visualized through three-dimensional chemical mapping. Altogether, this research underscores the importance of understanding local morphological evolution in designing electrodes and chemistries for advanced grid-scale energy storage technologies.

36 MATERIALS SCIENCE↗