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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

Boosting oxygen evolution of single-atomic ruthenium through electronic coupling with cobalt-iron layered double hydroxides

Single atom catalyst, which contains isolated metal atoms singly dispersed on supports, has great potential for achieving high activity and selectivity in hetero-catalysis and electrocatalysis. However, the activity and stability of single atoms and their interaction with support still remains a mystery. Here we show a stable single atomic ruthenium catalyst anchoring on the surface of cobalt iron layered double hydroxides, which possesses a strong electronic coupling between ruthenium and layered double hydroxides. With 0.45 wt.% ruthenium loading, the catalyst exhibits outstanding activity with overpotential 198 mV at the current density of 10 mA cm –2 and a small Tafel slope of 39 mV dec –1 for oxygen evolution reaction. By using operando X-ray absorption spectroscopy, it is disclosed that the isolated single atom ruthenium was kept under the oxidation states of 4+ even at high overpotential due to synergetic electron coupling, which endow exceptional electrocatalytic activity and stability simultaneously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Laboratory experiments on current sheet disruptions, double layers turbulence and reconnection

The role of laboratory experiments to the understanding of current systems in space plasmas is reviewed. It is shown that laboratory plasmas are uniquely suited to make detailed investigations of basic physical processes in current-carrying plasmas. Examples are given for double layers, current-driven instabilities, and the plasma dynamics at magnetic neutral points during reconnection. Observations of current sheet disruptions show the coupling between local plasma phenomena (double layers) and global circuit properties (magnetic energy storage).

Stenzel, R. L.↗
DOE OSTI2021

Real-time Characterization of the Fine Structure and Dynamics of an Electrical Double Layer at Electrode-electrolyte Interfaces

The chemisorption of species from supporting electrolytes on electrode surfaces is ubiquitous in electrochemical systems and affects the dynamics and mechanism of various electrochemical reactions. The understanding of chemical structure and property of the resulting electrical double layer is vital but limited. In this work, we operando probed the electrochemical interface between a gold electrode surface and a common supporting electrolyte, phosphate buffer, using our newly developed in situ liquid secondary ion mass spectrometry. We surprisingly found that on the positively charged gold electrode surface sodium cations were anchored in the stern layer in a partially dehydrated form by formation of compact ion pairs with the accumulated phosphate anions. The resulting strong and dense adsorption phase was further revealed to retard the electro-oxidation reaction of ascorbate. This finding addressed one major gap in the fundamental science of electrode-electrolyte interfaces that where and how the cations reside in the double layer to impose effects on electrochemical reactions, providing insights into engineering of better electrode-electrolyte interfaces in electrochemical processes.

Zhang, Yanyan↗
NASA NTRS1984

Time-dependent models of single- and double-layer mantle convection

Time-dependent numerical models of two-dimensional convection which simulate mantle convection are presented. Starting from a fluid initially at rest with a purely conductive temperature profile, it is found that for a Rayleigh number of ten million, the model experiences a transient period of double-layer convection which lasts on the order of hundreds of millions of years when scaled to the earth's mantle. It is suggested that transient periods of double-layer convection in the earth's mantle may have existed in the past, whether or not such a period exists today.

Boss, A. P.↗
DOE OSTI2023

A Comparative Study of Electrical Double Layer Effects for CO Reduction Reaction Kinetics

Solvation models describe how the interactions between the solutes and solvents affect the reactivity and selectivity in electrochemical processes. In this study, we developed a framework for evaluating the effects of applied potential and electrical double layer on CO reduction (COR), comparing fully explicit, implicit, and hybrid solvation models at the standard hydrogen electrode (SHE) scale. We analyzed all crucial intermediates leading to the production of C 1 and C 2 products and found good agreement across these models. Some notable differences were observed in the implicit description of *C and *CO adsorption at higher overpotentials and overall trends in the adsorption energies within the hybrid model. Using this unified SHE framework, we built comparable microkinetic models for COR kinetics and rates. Despite small differences in thermodynamics, solvation-model-based microkinetic simulations showed good agreement for onset potentials against the benchmark experiment. Only qualitative difference was observed for C 1+ versus hydrogen evolution at high overpotentials for the implicit model. Finally, we constructed a generalized C 2 selectivity map in descriptor space (U SHE , ΔG electrolyte CO ), which highlights the limitations of a copper-based COR catalyst and guides the search for optimal descriptor parameters to maximize C 2 selectivity. In conclusion, these findings demonstrate the importance of considering electrical double layer effects in reduction reactions and offer a useful framework for comparing solvation models and predicting optimal electrochemical conditions for specific applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

A double layer model for solar X-ray and microwave pulsations

The wide range of wavelengths over which quasi-periodic pulsations have been observed suggests that the mechanism causing them acts upon the supply of high energy electrons driving the emission processes. A model is described which is based upon the radial shrinkage of a magnetic flux tube. The concentration of the current, along with the reduction in the number of available charge carriers, can rise to a condition where the current demand exceeds the capacity of the thermal electrons. Driven by the large inductance of the external current circuit, an instability takes place in the tube throat, resulting in the formation of a potential double layer, which then accelerates electrons and ions to MeV energies. The double layer can be unstable, collapsing and reforming repeatedly. The resulting pulsed particle beams give rise to pulsating emission which are observed at radio and X-ray wavelengths.

Tapping, K. F.↗
DOE OSTI2023

Modeling salt adsorption in electrical double layer for capacitive deionization

Abstract This work presents an electrical double layer (EDL) model for capacitive deionization (CDI) by intercorrelating the salt adsorption, the electrode voltage, and the surface charge density. The counterion condensation is considered a crucial contribution to salt adsorption because of the high surface charge density in the charged micropores. The counterions condense when the surface charge density exceeds a critical value, which is predicted by the counterion condensation theory. The EDL model accurately correlates the NaCl salt adsorption and electrode voltage with various surface charge densities and well predicts the salt adsorption in a wide range of external salt concentrations. The EDL model reproduces the non‐monotonic relationship between the salt adsorption and the specific surface area observed in experiments and provides an explanation from the modeling perspective. Exhibiting superior accuracy and predictability for salt adsorption, the EDL model could serve as an enabling tool contributing to the development of CDI processes.

Lin, Yu‐Jeng↗
DOE OSTI2019

Neutron Spectroscopic and Thermochemical Characterization of Lithium–Aluminum-Layered Double Hydroxide Chloride: Implications for Lithium Recovery

Lithium–aluminum-layered double hydroxide chloride (LDH) has been recently shown to be a promising sorbent material for selective lithium extraction and recovery from geothermal brine. In this research, LDH samples synthesized from two different starting materials (alumina and gibbsite) and with two post-drying conditions (ambient-dried and oven-dried) as well as and Fe-doped LDH are studied using neutron vibrational spectroscopy. The results reveal differences in the ordering of interlayer water molecules. Thermochemical measurements of LDHs show that a higher interlayer ordering of water is directly related to the stability of gibbsite- and alumina-derived LDH. This corroborates with the previous work on increasing the stabilization of LDH via partial substitution of aluminum with iron. These results on the properties of LDH have implications on their lithium extraction abilities and subsequent recovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Formation of the Electric Double Layer and its Effects on Moving Bodies in a Space Plasma Environment

In this paper we solve the self-consistent Vlasov and Poisson equations by a numerical method to determine the local distribution function of the ion and the electron, within a thin layer near the moving body, respectively. Using these ion and electron distributions, the number density for the ions and electrons are determined, such that, the electric potential is obtained within this thin layer (i.e., measured by Debye length). Numerical results are presented for temporal evolution of the electron and ion density and its corresponding electric potential within the layer which shows the formation of electric double layer and its structures. From these numerical results, we are able to determine the maximum conditions of the electric potential, it may create satellite anomaly.

Yang, Qianli↗
NASA NTRSDate not supplied

A General Model for the Electrochemical Double Layer in Solids

It has long been clear that electrochemical double layer / space charge zone in the vicinity of interfaces and other extended defects greatly influences transport and reactivity. Over the past several years, multiple microscopic measurements of defect concentrations in the vicinity of solid-solid interfaces made clear that dilute-case thermodynamic theories to describe the behavior of charged species in space charge zones are untenable. Inhomogeneous thermodynamics – i.e., phase field models – have delivered the most success in describing both microscopic and macroscopic experiments. We still need a generalized approach that quantitatively reproduces the microscopic and macroscopic evidence, while remaining accessible to a wide range of researchers and engineers. In my talk I will present such a framework, which builds on the previously introduced Poisson-Cahn theory but utilizes data science methods which come into the thermodynamic framework in a well-defined way. I will review recent applications to both microscopic and macroscopic datasets while previewing our plans for connecting the theory to atomistic / first principles calculations and experiment simultaneously. I will also review plans for releasing open source code that runs on desktop-level computational resources.

David Mebane↗
DOE OSTI2015

Photocatalytic O{sub 2} evolution from water over Zn–Cr layered double hydroxides intercalated with inorganic anions

Graphical abstract: The photocatalytic activity of Zn–Cr LDHs intercalated with various inorganic anions was studied by O{sub 2} evolution from aqueous solution of AgNO{sub 3} as a sacrificial agent. All the prepared LDHs showed photocatalytic activity under either UV and/or visible light irradiation. The interlayer anions affected the photocatalytic activity of the LDHs. - Highlights: • Zn–Cr layered double hydroxides intercalated with inorganic anions were synthesized. • Photocatalytic activity of the LDHs was studied by O{sub 2} evolution. • All the prepared LDHs showed photocatalytic activity under either UV and/or visible light irradiation. • The interlayer anions affected the photocatalytic activity of the LDHs. - Abstract: Zn–Cr layered double hydroxides (LDHs) intercalated with inorganic anions (CO{sub 3}{sup 2−}, Cl{sup −}, SO{sub 4}{sup 2−} and NO{sub 3}{sup −}) were synthesized by the co-precipitation method and the anion exchange process. The photocatalytic activity of the LDHs was studied by O{sub 2} evolution from aqueous solution of AgNO{sub 3} as a sacrificial agent. All the prepared LDHs showed photocatalytic activity under either UV and/or visible light irradiation. Besides, the interlayer anions affected the photocatalytic activity of the LDHs. After irradiation, Ag particles were formed on the LDHs by accepting the electrons generated during the photocatalytic reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A novel porous anionic metal–organic framework with pillared double-layer structure for selective adsorption of dyes

A novel porous anionic metal–organic framework, (Me{sub 2}NH{sub 2}){sub 2}[Zn{sub 2}L{sub 1.5}bpy]·2DMF (BUT-201; H{sub 4}L=4,8-disulfonaphthalene-2,6-dicarboxylic acid; bpy=4,4-bipyridine; DMF=N,N-dimethylformamide), with pillared double-layer structure has been synthesized through the reaction of a sulfonated carboxylic acid ligand and Zn(NO{sub 3}){sub 2}·6H{sub 2}O with 4,4-bipyridine as a co-ligand. It is found that BUT-201 can rapidly adsorb cationic dyes with a smaller size such as Methylene Blue (MB) and Acriflavine Hydrochloride (AH) by substitution of guest (CH{sub 3}){sub 2}NH{sub 2}{sup +}, but has no adsorption towards the cationic dyes with a lager size such as Methylene Violet (MV), the anionic dyes like C. I. Acid Yellow 1 (AY1) and neutral dyes like C. I. Solvent Yellow 7 (SY7), respectively. The results show that the adsorption behavior of BUT-201 relates not only to the charge but also to the size/shape of dyes. Furthermore, the adsorbed dyes can be gradually released in the methanol solution of LiNO{sub 3}. - Graphical abstract: A porous anionic metal–organic framework (BUT-201) can selectively adsorb the cationic dyes by cationic guest molecule substitution, and the adsorbed dyes can be gradually released in the methanol solution of LiNO{sub 3}. - Highlights: • An anionic metal-organic framework (BUT-201) has been synthesized and characterized. • BUT-201 has a three-dimensional (3D) pillared double-layer structure. • BUT-201 can selectively and rapidly adsorb cationic dyes. • The adsorbed dyes can be gradually released in the methanol solution of LiNO{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

One-pot electrochemical preparation of BiOCl/BiPO{sub 4} double-layer heterojunction film with efficient photocatalytic performance

Highlights: • A novel BiOCl/BiPO{sub 4} heterojunction film has been synthesized by one-pot electrochemical method. • The as-prepared BiOCl/BiPO{sub 4} heterojunction film exhibited high photocatalytic activity and stability. • The plausible formation process of BiOCl/BiPO{sub 4} heterojunction film has been proposed and demonstrated. • The photocatalytic mechanism of phenol degradation presented by BiOCl/BiPO{sub 4} heterojunction film was investigated and analyzed. - Abstract: A BiOCl/BiPO{sub 4} double-layer heterojunction film on metal Bi plate with reduced recombination of photo-induced carriers has been successfully prepared by one-step electrochemical anodization process. The morphology characterizations displayed that the double-layer film consisted of BiPO{sub 4} rods array at the bottom and BiOCl nanosheets on the top. Meanwhile, the control experiments indicated that the BiPO{sub 4} rods array was transformed by BiOCl rather than Bi{sup 3+} reacting with PO{sub 4}{sup 3−} directly. In addition, the resulting BiOCl/BiPO{sub 4} heterojunction film exhibited excellent photocatalytic activity and stability on the degradation of phenol comparing with pure BiOCl film. Transient photocurrent measurements and PL spectra proved that the enhanced photocatalytic performance of BiOCl/BiPO{sub 4} heterojunction film was attributed to the effective separation of photo-generated electron-hole pairs excited on BiOCl. Moreover, ·O{sub 2}{sup −} and ·OH played a crucial role in the photodegradation process of phenol. Based on these analytical results, a plausible photocatalytic mechanism has been proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Small-amplitude shock waves and double layers in dusty plasmas with opposite polarity charged dust grains

Theoretical investigation is carried out for understanding the properties of nonlinear dust-acoustic (DA) waves in an unmagnetized dusty plasma whose constituents are massive, micron-sized, positive and negatively charged inertial dust grains along with q (nonextensive) distributed electrons and ions. The reductive perturbation method is employed in order to derive two types of nonlinear dynamical equations, namely, Burgers equation and modified Gardner equation (Gardner equation with dissipative term). They are also numerically analyzed to investigate the basic features (viz., polarity, amplitude, width, etc.) of shock waves and double layers. It has been observed that the effects of nonextensivity, opposite polarity charged dust grains, and different dusty plasma parameters have significantly modified the fundamental properties of shock waves and double layers. The results of this investigation may be used for researches of the nonlinear wave propagation in laboratory and space plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Effect of Anions on the Delithiation of [Li–Al] Layered Double Hydroxides: Thermodynamic Insights

The utilization of lithium aluminum [Li–Al] layered double hydroxides (LDHs) is explored for direct lithium extraction (DLE) from geothermal brines and minerals. Following extraction, the Li + ions need to be removed from the LDH structure and converted into LiOH or Li 2 CO 3 products, making them suitable for battery applications. The research investigates the delithiation of [Li–Al-X] LDHs (where X = Cl – , OH – , and SO 4 2– ), which were synthesized and dried under different conditions. Herein the study aims to understand how the choice of anions and drying conditions affects the delithiation process. To determine the stability of these [Li–Al] LDHs, high-temperature oxide melt solution calorimetry is employed. The results reveal that the stability of LDHs varies significantly based on postdrying conditions, anion choice, and the water content in the interlayer. The order of stability, as indicated by the enthalpy of formation values, is found to be OH-LDH-O > OH-LDH-A > SO 4 -LDH-O > SO4-LDH-A > Cl-LDH-O > Cl-LDH-A. This trend is attributed to the interactions among the interlayer species and the metal hydroxide layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effect of Interlayer Co 2+ on Structure and Charge Transfer in NiFe Layered Double Hydroxides

We present that the intercalation of Co in Ni/Fe layered double hydroxides (LDH) significantly improves the electrocatalytic performance of the LDH for the oxygen evolution reaction. The mechanism behind the improvement and the structure of the Co-intercalated LDHs, however, is not precisely known. We use classical molecular dynamics (CMD) to study the impact of intercalated Co on the structure of Ni/Fe LDH and the electron transfer process. CMD studies find that the Co ions form small clusters, pushing apart the surrounding hydroxide sheets to form small “pockets” around these clusters, disrupting the planar nature of the sheets in the absence of intercalated Co clusters. The structure of the “pockets” is a strong function of force field parameters and the accuracy of the LDH bulk modulus. Lastly, we use umbrella sampling to study electron transfer and show that the clusters of Co in the interlayer are important for electron transfer, such that solvent molecules have greater freedom to reorient with a change in charge state, thereby reducing the barrier to electron transfer.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Post heat treatment effects on double layer metal structures for VLSI applications

The realization of high yield double layer metal systems using wet chemistry processes and the ability to extend yields beyond that attainable with wet chemistry by means of post sintering processes at temperatures below 500 C for potential applications in very large scale integration structures were studied. Yields in excess of 98% and average total contact resistance of less than 150 ohms and 200 ohms were realized for a series of 560 vias of 0.5 X 0.5 mils and 0.2 X 0.2 mils in size, respectively.

Wade, T. E.↗