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Results for “Three-dimensional electrodes”

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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Pathway to High Rate Capability in Interconnected Composite Electrolytes: A Case Study with a Single-Ion-Conducting Polymer

In a three-dimensional interconnected polymer/ceramic composite electrolyte (3D composite), both the polymer and ceramic electrolyte phases are individually connected with a polymer-rich surface layer to provide conformal contact with the electrodes. This work investigates how the transference number of the polymer phase affects the electrochemical properties of the 3D composite. Here, we fabricate a 3D composite using a “single-ion” conducting polymer electrolyte (PE), Li 1+x+y Al x Ti 2–x Si y P 3–y O 12 (LICGC) ceramic, and compare its electrochemical properties with the neat polymer, and with a 3D composite made with a dual-ion-conducting PE (we reported previously). Our results reveal that changing the polymer phase from a dual-ion-conducting PE to a single-ion-conducting PE results in a 9-fold increase in the limiting current density, although the interfacial impedance between the polymer and LICGC ceramic remains high (and contributes significantly to the total impedance of the 3D composite). Further, the limiting current density of the 3D composite is dictated by the PE and minimally affected by the ceramic scaffold. The ceramic scaffold, however, helps to ease the concentration gradient buildup within the PE and moderately improves the overall transference number. The LICGC scaffold does not provide any additional Li dendrite resistance due to its high reactivity with Li.

25 ENERGY STORAGE↗
DOE OSTI2025

Recent Developments in Lithium-Manganese-Nickel Oxide Electrochemistry: The Alchemy of LiMn 0.5 Ni 0.5 O 2

Efforts have been underway for some time at Argonne National Laboratory to design structurally integrated and stabilized lithium-manganese-nickel-oxide cathode materials. The goal has been to find a cobalt-free, high-capacity cathode for a Li-ion battery that is competitive, both cost- and energy-wise, with lithium-nickel-manganese-cobalt-oxide (NMC) and lithium-iron-phosphate (LFP) products. This brief synopsis highlights the remarkable alchemy of LiMn 0.5 Ni 0.5 O 2 resulting from its well-known, slightly disordered layered structure and the recently discovered lithiated spinel phase and totally disordered rock-salt configurations. All three arrangements share a structurally compatible cubic-close-packed oxygen array. The lithiated spinel and layered components provide an intersecting network of two- and three-dimensional channels that facilitate Li + -ion transport, while a minor amount of an extensively disordered rock-salt component likely serves to enhance the structural and electrochemical stability of the electrode. The synopsis also encompasses the historical development of lithiated spinel electrode materials and structurally integrated systems.

Thackeray, Michael M. [Argonne National Laboratory↗
DOE OSTI2025

Optimizing 2D passivation for enhancing performance of fully air-processed carbon electrode-based perovskite solar cells

Air-processed carbon-based perovskite solar cells (C-PSCs) offer scalable and cost-effective photovoltaic manufacturing but face efficiency loss compared to metal-contact perovskite solar cells. Surface passivation of three-dimensional (3D) perovskites with two-dimensional (2D) perovskite layers has emerged as a promising strategy to enhance device performance. However, the mechanisms by which 2D perovskites more effectively improve C-PSC efficiency and stability remain underexplored. This study investigates the efficacy of 2D/3D heterostructures using n-hexylammonium bromide (C6Br), phenethylammonium iodide (PEAI), and n-octylammonium iodide (OAI) as surface passivators for C-PSCs. C-PSCs treated with C 6 Br achieved a champion power conversion efficiency (PCE) of 21.0%. This enhancement is attributed to superior defect passivation, improved charge extraction, and suppressed non-radiative recombination. Transient ion-drift characterization demonstrates that C 6 Br and OAI reduce ionic conductivity by 2–3 orders of magnitude, correlating with enhanced operational stability under continuous illumination. Our findings highlight the role of short-chain bromide cations (C 6 Br) in optimizing halide-mediated defect healing and interfacial band alignment, positioning 2D-passivated C-PSCs as viable competitors to conventional metal-contact perovskite solar cells.

14 SOLAR ENERGY↗
DOE OSTI2023

System and method for three-dimensional in vitro flexible microelectrode array

The present disclosure relates to a biocompatible, in vitro probe system. The probe system may have a substrate and a culture well supported on the substrate. The culture well defines a three-dimensional volume for containing in vitro cultures of electroactive cells. The probe system has at least one probe subsystem supported on the substrate. The probe subsystem has at least one probe having an array of electrodes, with the probe being disposed within the culture well for in vitro electrically communicating with the electroactive cells. The probe subsystem is adapted to be interfaced to an external instrumentation/recording device.

Soscia, David↗
DOE OSTI2024

Mo 3 S 13 Chalcogel: A High-Capacity Electrode for Conversion-Based Li-Ion Batteries

Despite large theoretical energy densities, metal-sulfide electrodes for energy storage systems face several limitations that impact the practical realization. Here, we present the solution-processable, room temperature (RT) synthesis, local structures, and application of a sulfur-rich Mo 3 S 13 chalcogel as a conversion-based electrode for lithium-sulfide batteries (LiSBs). The structure of the amorphous Mo 3 S 13 chalcogel is derived through operando Raman spectroscopy, synchrotron X-ray pair distribution function (PDF), X-ray absorption near edge structure (XANES), and extended X-ray absorption fine structure (EXAFS) analysis, along with ab initio molecular dynamics (AIMD) simulations. A key feature of the three-dimensional (3D) network is the connection of Mo 3 S 13 units through S–S bonds. Li/Mo 3 S 13 half-cells deliver initial capacity of 1013 mAh g –1 during the first discharge. After the activation cycles, the capacity stabilizes and maintains 312 mAh g –1 at a C/3 rate after 140 cycles, demonstrating sustained performance over subsequent cycling. Such high-capacity and stability are attributed to the high density of (poly)sulfide bonds and the stable Mo–S coordination in Mo 3 S 13 chalcogel. Importantly, these findings showcase the potential of Mo 3 S 13 chalcogels as metal-sulfide electrode materials for LiSBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Reaction Diffusion Modelling of 3D Pillar Electrodes in Single-Catalyst CO 2 Reduction Cascades

Effective electrochemical CO 2 reduction to liquid fuels requires that the local catalytic environment facilitates the desired reactivity, yet a microscopic understanding of this environment is difficult to achieve from experiment alone. In this work, a 3D reaction-diffusion model was developed to explore the effects of electrode surface area and local geometry on the performance of a heterogeneous catalyst that performs a two-step CO 2 reduction cascade reaction to CO and then CH 3 OH under aqueous conditions. Kinetic parameters for the model were inspired by experimental results using a cobalt phthalocyanine (CoPc) catalyst. Three-dimensional architectures composed of arrays of square pillars with varying dimensions and either smooth or periodically modulated surfaces were tested, revealing the extent to which geometry modulates the performance of the cascade reactions. Although structural variations modulate local concentration gradients, we find that electrochemically active surface area predominantly governs the overall cascade reaction. Moreover, the results suggest that supersaturation of CO, with concentrations up to ten-fold higher than the equilibrium solubility limit, might be critical for more efficient conversion to CH 3 OH. For any given geometry, the spatially averaged ratio of [CO] to [CO 2 ] is dictated by the electrochemically active surface area and determines the yield of CH 3 OH. For a fixed surface area, geometries that spatially confine the electrolyte yield moderate local [CO] to [CO 2 ] ratios within small volumes. In contrast, less confining geometries result in a broader distribution of local ratios spread over larger volumes, with both configurations yielding the same spatially averaged [CO] to [CO 2 ] ratio. These insights provide valuable design principles—highlighting the critical importance of surface area and possibly CO supersaturation—for engineering advanced electrode architectures that leverage intermediate trapping and CO supersaturation to enhance overall performance in tandem CO 2 reduction systems.

COMSOL↗
DOE OSTI2023

Simplified Models of the Bicarbonate Buffer for Scaled Simulations of CO 2 Electrolyzers

Bicarbonate electrolytes are used in a range of chemical processes; however, resolved simulation of these electrolytes is difficult, as disparate reaction time scales lead to numerical stiffness and the formation of fine boundary layers. Based on several physically motivated approximations, we reduce the full set of chemical reactions within a bicarbonate electrolyte to a simpler subset, eliminating the numerical stiffness. We supported this simplification via a two-variable singular perturbation expansion and demonstrated that under neutral conditions (6 < pH < 10) typically found within a fluid-fed CO 2 electrolyzer, the simplifications lead to negligible error. Here, we also discuss two alternative simplifications, one valid at high pH and another valid at arbitrary pH. These simplifications reduce the condition number of the matrices resulting from spatiotemporal discretization by up to 10 orders of magnitude and enable three-dimensional (3D) simulation of CO 2 electrolyzers containing carbonate solutions.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Porous ceramic supports for resistively heated hybrid gas sorbents

A porous sorbent ceramic product includes a three-dimensional structure having an electrically conductive ceramic material, wherein the conductive ceramic material has an open cell structure with a plurality of intra-material pores, a sorbent additive primarily present in the intra-material pores of the conductive ceramic material for adsorption of a gas, and at least two electrodes in electrical communication with the conductive ceramic material.

Ellebracht, Nathan C.↗
DOE OSTI2024

An assessment of controlled source EM for monitoring subsurface CO 2 injection at the wyoming carbonSAFE geologic carbon storage site

Here we evaluate if electromagnetic (EM) geophysical methods for monitoring geologic carbon storage (GCS) efforts at the Wyoming CarbonSAFE project adjacent to the Dry Fork Station power plant near Gillette, Wyoming. This first involved acquiring both electric and magnetic fields at eleven different locations ranging in distance from immediately adjacent to 4 km from the plant. Passive EM measurements were made to provide spectral EM noise measurements generated by electricity production at the plant and to determine if useful magnetotelluric (MT) data can be successfully collected in the region. The processed data indicate that useful MT data can be collected as long as the site is located more than 2km away from the power plant as well as active roads and rail lines. Controlled source EM data were collected using three different source configurations, two of which connected to steel casings used to complete the injection wells. Comparing the EM noise measurements to the CSEM data show measurable electric and magnetic field signals at all sites. Next a series of three-dimensional (3D) numerical models were built that simulate resistivity changes caused by the proposed CO2 injection at depths ranging from 2.4 to 3.0km. These models were used to simulate various EM measurement configurations. The modeling shows that casing-source CSEM monitoring can provide sensitivity to the injected CO 2 if source electrodes are connected to the bottom of one or both of the injection wells.

58 GEOSCIENCES↗
DOE OSTI2025

Photoabsorption and Stability in Triple-Cation Perovskites Influenced by Interfacial Engineering of the Collector

Charge carrier dynamics in three-dimensional (3D) perovskites is critical to understand for enhancing device performance since the photoabsorption mechanism in perovskites influences key functional devices such as photodetectors and solar cells. Temperature-dependent optoelectronic transport measurements were conducted on our triple cation formulation for the first time from 4 K to 300 K to investigate the role of an interfacial Ti underlayer, beneath the conventional Au collector electrode. The photocurrent was 10X larger with the use of a Ti interfacial layer compared to only Au, where device measurements were made using a broadband white light source at room temperature. As temperature increased from 4 K, the photocurrent increased in both cases, consistent with the semiconducting nature of the triple-cation absorber. Besides computing the responsivity as a function of power and temperature, time-domain measurements with ON/OFF pulses of incident white light, showed the switching time constants to be in the tens to few hundred milliseconds range, and largely temperature-invariant for the two contacts examined. Finally, we constructed solar cells with the same triple cation absorber, in an n-i-p architecture with a Spiro-OMeTAD hole transport layer, but the collector was composed of both types of contacts. Exposing our devices to moisture-rich conditions of up to 70% relative humidity showed the Au/Ti contacted devices to be more robust. Here, our experimental results demonstrate that the addition of a Ti interlayer improves collector efficiency through the photoabsorption process while also potentially stabilizing the solar cells, compared to the bare Au, in moisture-rich environments

optoelectronics↗
DOE OSTI2024

Progress Report for W911NF-23-1-0323: Development of Scalable Three-Dimensional Ion Traps for Quantum Information Processing

Trapped atomic ions are a promising platform for scalable quantum information processing. They lead in many key metrics such as single and two qubit gate fidelities, as well as quantum volume. We recently realized novel 3D ion traps with a high resolution 3D-printing process. The traps combine the scalability potential of surface chip traps with the superior trap performance of macroscopic 3D ion traps. Like photolithography, 3D-printing is a digitally defined process and hence allows for rapid iteration between design and fabrication. In contrast to photolithography, it also allows for fully defined 3D structures and, thus, is an ideal process to develop large, well-defined trap arrays with complex 3D electrode structures. Our current goal is to implement key procedures and perform critical measurements that justify incorporation of 3D-printed traps into large-scale quantum computing efforts. En route, we recently realized trapping in horizontal traps that are operating at cryogenic temperatures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Observation of Kolmogorov turbulence due to multiscale vortices in dusty plasma experiments

We report the experimental observation of fully developed Kolmogorov turbulence originating from self-excited vortex flows in a three-dimensional (3D) dust cloud. The characteristic -5/3 scaling of 3D Kolmogorov turbulence is consistent in both the spatial and temporal energy spectra within a statistical variation of experimental data. Additionally, the 2/3 scaling in the second-order structure function further supports the presence of Kolmogorov turbulence. We also identified a slight deviation in the tails of the probability distribution functions for velocity gradients, a reflection of intermittency. The experiment showed the formation of a dust cloud in the diffused plasma region away from the electrodes. The dust rotation was observed in multiple experimental campaigns under different discharge conditions at different spatial locations and background plasma environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Effect of Cathode Cooling in Three-Dimensional Simulations of an Atmospheric Pressure Glow Discharge

The Atmospheric Pressure Glow Discharge (APGD) is a relatively simple and versatile plasma source used in a wide range of applications. Active cooling of the cathode can effectively mitigate instabilities, leading to glow-to-arc transitions. This study investigates the effect of varying the degree of cathode cooling in APGD with a planar cathode in helium. The plasma flow model incorporates mass conservation, chemical species transport, momentum conservation, conservation of thermal energy of heavy species and of electrons, and electrostatics. The model is applied to time-dependent simulations through a three-dimensional computational domain describing the whole discharge, without geometric symmetry or steady-state assumptions. Simulations of an experimentally characterized APGD explore the effects of electric current and cathode cooling—ranging from thermally insulated to extreme convective cooling. Results show the formation of an annular region with high electric field over the cathode surface under conditions of high current and low cooling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

All-organic self-separating three-dimensionally nanoarchitected electrochemical energy storage devices

This work realizes a three-dimensionally (3D) nanoarchitected, all organic, "self-separating" lithium-ion electrochemical energy storage (EES) device that is cycled as a solid-state full cell. The device is enabled by a monolithic carbon anode with a co-continuous pore network, derived from the structure direction of resols by an ultra-large molar mass block copolymer (BCP), poly(styrene-block-2-dimethylaminoethyl methacrylate) (SA). Electropolymerization of a single-phase conductive and redox-active material, poly((2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methyl 9,10-dioxo-9,10-dihydroanthracene-2-carboxylate) (PAQEDOT), into the pore space provides the cathode of the cell. The device is electronically contacted to the relevant electrode network enabled by the co-continuous nature of each electrode. Electrochemical processing via cycling against external lithium in an electrolyte generates a solid electrolyte interphase (SEI) as a separator and lithiates the cell electrodes, after which the EES device is cycled in the solid state. While the full cell does not demonstrate high cyclability, the best full cell demonstrates a discharge capacity of 267 milliamp hours per gram (mAh/g). This work marks, to the best of knowledge of the authors, the first example of an all-organic materials derived 3D nanoarchitected EES device, as well as the first design of "self-separating" cell fabrication. Furthermore, generalization of the design to another co-continuous carbon form factor is demonstrated.

FOS: Physical sciences↗
DOE OSTI2025

Lithium–Sulfur Batteries: 3D Printed Tools and Assembly Techniques for Repeatable Lab-Scale Coin Cell Manufacturing

The coin cell form factor has become a standard in energy storage research owing to its relatively low cost, low quantity of requisite electroactive material, fast experimental turnover, and capability to generate publishable quality data. Coin cell assembly at the lab-scale requires precise manual alignment of the many internal components of a cell to yield a properly functioning device. Truly repeatable device assembly presents a significant challenge to the acquisition of reliable data. In this report, we present a three-dimensional (3D) printable design for a coin cell alignment device and describe techniques for a generalized workflow to achieve reproducible coin cell assembly of lithium-based batteries. Standardized assembly techniques using readily accessible, purpose-built tools were demonstrated for labscale production of lithium−sulfur (Li−S) coin cells. Li−S batteries fabricated using the alignment device as well as conductive adhesive incorporated workflows afforded coin cells with up to 35% reduction of assembly times, comparable or better functional cell yields, and improved electrochemical device performance with more consistent and up to 150 mAh/g higher average discharge capacities coupled with Coulombic efficiency increases of up to 2.0% over manually aligned cell assembly techniques.

Batteries↗
DOE OSTI2025

Scaling deep learning for material imaging with a pseudo 3D model for domain transfer

The recent introduction of deep learning methods for image processing has greatly advanced the characterization of materials using three-dimensional (3D) X-ray imaging techniques. However, deep learning models often have difficulty performing consistently across images owing to unavoidable variations in imaging conditions, which create inconsistencies even for the same material. As a result, networks must frequently be retrained for new datasets, limiting their applicability and generalization. Thus, it is critical to reduce the variations between images to enable a single model to process multiple datasets. Herein, we introduce P3T-Net, a pseudo-3D domain transfer network that transfers diverse 3D images into a uniform domain before processing using deep learning models. Remarkably, P3T-Net enables the reuse of previously trained networks for processing new images and considerably reduces the computational cost of transferring 3D images across domains. These unique capabilities were demonstrated in the following scenarios: (i) image enhancement of fast scans for geological rock and hydrogen fuel cells, (ii) enhancement of images to match the quality of multi-source imaging for lithium-ion batteries, (iii) accurate segmentation of images captured under different conditions, and (iv) tera-scale 3D transfer (10 11 voxels) on a single GPU. Overall, the proposed approach addresses cross-domain inconsistencies across various materials and conditions, thereby enabling more robust and generalizable deep learning solutions for a wide range of material imaging tasks.

25 ENERGY STORAGE↗
DOE OSTI2026

Architecting the Third Dimension of Electrochemical Energy Storage

Three-dimensional (3D) architectural design has emerged as a powerful strategy to push electrochemical energy storage (EES) devices beyond the intrinsic limitations of conventional two-dimensional (2D) electrodes. While planar architectures enable high packing density and mature manufacturing, they suffer from limited ion transport and low active-material loading. In contrast, 3D architectures introduce low-tortuosity networks and high surface area that enhance charge and mass transport while supporting thick, high mass-loading electrodes. However, their practicality remains hindered by challenges in volumetric density, mechanical stability, and large-scale manufacturability. Here, this Perspective examines the key evaluation and design principles that govern 3D device performance. We discuss the fundamental trade-offs between porosity, volumetric density, and mechanical stability that shape 3D design and highlight emerging strategies for integrating materials engineering, structural optimization, device integration, computational modeling, and scalable manufacturing. By aligning structural functionality with manufacturability, 3D architectures can evolve from laboratory prototypes to commercially viable energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Unraveling Dimensional Tuning: From 2D to 3D in Covalent Organic Frameworks for Enhanced 2e – Oxygen Reduction Reaction

Covalent organic frameworks (COFs) with a two-dimensional (2D) topology have recently emerged as promising catalyst systems for the electrosynthesis of hydrogen peroxide (H 2 O 2 ) from oxygen (O 2 ). However, designing 2D catalysts to achieve higher H 2 O 2 selectivity presents a significant challenge because of the extensive layer stacking and the aggregated active sites located in the basal planes. It results in lower atom utilization, which requires attention. In this study, we present two functionally similar COFs: one with a 2D rhombus topology (2D@BT_TPA-COF) and another with a three-dimensional (3D) noninterpenetrated pts topology (3D@BT_TPA-COF). Both COFs were utilized for the 2e – oxygen reduction reaction (2e – ORR). Tunning the dimensionality from 2D to 3D resulted in an increase in H 2 O 2 selectivity from approximately ~56% to approximately ~96% (at 0.4 V) and a rise in the turnover frequency (TOF) from 0.05 to 0.08 s –1 at 0.3 V. Nonaggregated active site distribution over 3D topology, featuring higher active site exposure, provides better access to the O 2 /electrolyte and facilitates electron transfer leading to higher 2e – ORR activity and selectivity compared to the 2D counterpart.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗