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DOE OSTI2025

Application of deep learning to single-shot gas-phase laser-induced breakdown spectroscopy

Single-shot fs laser-induced breakdown spectroscopy (LIBS) has the potential to capture ns-scale electrode desorption phenomena in pulsed power fusion drivers. However, the successful implementation of the diagnostic for this purpose is challenging, as it requires interpreting single-shot measurements collected from low-density gas mixtures. In this work, we demonstrate the efficacy of a Bayesian-optimized convolutional neural network (CNN) to interpret these measurements. We generated 256 distinct measurement conditions at relevant gas pressures ranging from 80–530 mTorr by mixing 100–250 sccm H 2 and 50–200 sccm CH 4 in increments of 10 sccm. Despite the considerable overlap between signals separated by 20 sccm, the CNN is able to predict the H 2 flow rate with a root-mean-square error (RMSE) of 15.9 sccm and the CH 4 flow rate with an RMSE of 12.0 sccm. The average relative prediction error is <9% for each gas and largely remains below or near 10%.

Brown, Nathan Parnell [Sandia National Lab. (SNL-N↗

DOE OSTI2025

Enabling ITO-free perovskite solar cells through n-doped poly(benzodifurandione) (n-PBDF) electrodes

The burgeoning commercialization of perovskite solar cells (PSCs) is propelled by their exceptional power conversion efficiency (PCE), enhanced stability, and ease of fabrication. However, the rigidity of mainstream transparent conductive oxides (TCOs) limits the adaptability of PSCs to various application scenarios. Although alternative materials such as silver nanowires, carbon nanotubes, graphene, and PEDOT:PSS have been evaluated, the p-type nature confines their device designs to inverted architecture and restricts broader applicability. Here, for the first time, a conducting polymer electrode based on n-doped poly(benzodifurandione) (n-PBDF) was used to replace TCOs in PSCs. The n-PBDF electrodes can be readily fabricated via low-temperature, solution-based processes, indicating substantial potential for reducing manufacturing costs. Furthermore, its integration into PSCs has negligible effect on the phase, morphology, or photophysical properties of the perovskite layer, which is comparable to the typical TCOs. After optimization, the n-PBDF-based device achieves a power conversion efficiency of 12.70 and 11.23%, for rigid and flexible devices, respectively. Our study provides a promising alternative to the widely used TCOs in PSCs, highlighting the advantages of using n-doped conducting polymers in terms of processability and flexibility.

Kumar, Prashant [Purdue University, West Lafayette↗

NASA NTRS1985

Electroencephalogram (EEG) and Magnetoencephalogram (MEG) as Tools for Evaluation of Cognitive Function

We have developed computerized analysis and display techniques to help identify the origins of visually evoked scalped potentials (VESP). The potentials are recorded simultaneously from many electrodes (usually 40 to 48) spaced over the region of the scalp where appreciable evoked potentials are found in response to particular stimulus. Contour mapping algorithms are then used to display the time behavior of equipotential surfaces on the scalp during the VESP. We then use an optimization technique to select the parameters of arrays of current dipole sources within the model until the model equipotential field distribution closely fits the measured data. Computer graphics are then used to display, as a movie, the actual and model scalp potential fields and the parameters of the dipole generators within the model head during the course of VESP activity. We have devised reaction time tests that involve potentially separable stages of cognitive processing and utilize stimuli that produce measurable cognition-related features in the late component of the evoked potential. We have used these techniques to determine the loci in the brain where known cognition-related features in the evoked potential are generated and we have explored the extent to which each of these features can be related to the reaction time tasks. We have also examined the temporal-spatial aspects of their cerebral involvement. Our current work is planned to characterize the age-related changes in the processes performed by such sources. We also use a neuromagnetometer to measure the evoked magnetic fields in similar circumstances; we will discuss the relative merits of the two methodologies.

Fender, Derek H.↗

DOE OSTI2026

Oligoether-Functionalized PEDOT: Combining an EDOT Backbone with Polar Side Chains for Solution Processability and High Electrical Conductivity

Conjugated polymers functionalized with oligoether (OE)-based side chains are a key class of materials for various organic electronic applications, including transparent electrodes, thermoelectrics, electrochromic displays, and electrochemical transistors. Herein, we report a highly soluble OE-functionalized poly(3,4-ethylenedioxythiophene) (PEDOT) homopolymer, prepared by direct (hetero)arylation polymerization, which allows solution processing to yield films with comparable redox properties to oxidatively polymerized PEDOT. This polymer, PEDOT(OE3), when optimally oxidatively doped, reaches among the highest electrical conductivities of any OE-functionalized polymer and is comparable to more synthetically complex OE-functionalized polymers. X-ray scattering and spectroscopy were utilized to rationalize the transport properties resulting from varying the doping level. Comparison of PEDOT(OE3) to a series of OE-functionalized dioxythiophenes with varying amounts of 3,4-ethylenedioxythiophene units allows for a deeper understanding of structure–property relationships through charge-transport models. Ultimately, PEDOT(OE3) is shown to be a material with exceptional charge-transport properties and is promising for various applications.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Hole transport layer selection for stable and efficient carbon electrode-based perovskite solar cells

Perovskite solar cell (PSC) technology has achieved remarkable progress, with champion power conversion efficiencies (PCE) exceeding 26%. However, the long-term stability of PSCs remains a significant barrier to their widespread commercialization. Carbon-based PSCs (C-PSCs) have gained attention as a promising cost-effective and scalable production solution, replacing expensive metal electrodes and offering improved stability. Despite these advantages, C-PSCs face challenges in matching the performance of noble metal-based PSCs, particularly in terms of carrier extraction efficiency and reduced carrier recombination at the carbon/perovskite interface. The selection of hole transport materials (HTMs) is crucial for optimizing this interface, but comprehensive studies on HTM selection for C-PSCs are limited. This study systematically investigated three commonly used hole transport layers (HTLs): Spiro-OMeTAD, CuSCN, and PTAA. Our results show that Spiro-OMeTAD-based C-PSCs exhibit the best overall performance, achieving a PCE of 19.29%. CuSCN-based devices, while lower in efficiency (11.94% PCE), demonstrated superior stability, retaining approximately 60% of their initial performance after 500 hours under ambient conditions. PTAA-based devices achieved a PCE of 12.92% but exhibited significant degradation, maintaining only ∼35% of their original efficiency over the same duration. These findings highlight the importance of selecting HTLs that balance performance and stability and emphasize the need for further optimization to enhance the commercial viability of C-PSCs.

14 SOLAR ENERGY↗

DOE OSTI2025

Clean Water Production in Cooling Towers

This project developed and demonstrated a novel technology that produces clean water from cooling tower recirculating water by using the natural evaporation and condensation cycle inside cooling towers. The system captures the escaping plume and converts blowdown quality water into high purity water suitable for on-site reuse such as boiler feed. The technology uses electric fields to ionize exhaust plumes, charge the entrained droplets, and direct them toward collection electrodes where they coalesce and flow downward. This allows water recovery at a low energy cost while reducing visible plume emissions. In addition, we developed a complementary software platform that improves overall cooling tower performance. The system uses wireless sensors and physics-based machine learning algorithms to optimize key parameters of the cooling process. For power generation facilities, this increases the thermal efficiency of the cooling loop and condenser, resulting in measurable cycle efficiency gains. Improvements of one percent or more can deliver significant increases in electricity production for the same fuel input.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2026

Novel Organosulfur-Based Electrolytes for Safe Operation of High Voltage Li-ion Batteries over a Wide Operating Temperature

This project addresses the failure of conventional electrolytes and enables high-voltage operation of lithium-ion batteries (LIBs) by developing a novel organosulfur-based electrolyte system. To achieve this goal, we first designed and synthesized new organosulfur solvents that functionalized with strong electron-withdrawing groups such as fluoroalkyl and cyano substituents. Through regio-specific molecular engineering, supported by theoretical calculations, we lowered the highest occupied molecular orbital (HOMO) energy levels of these molecules to increase their anodic stability for high-voltage operation. We then optimized the formulation of the organosulfur-based electrolyte with additives, co-solvents and salts tailored to the newly synthesized solvent molecules. In parallel, we utilized advanced spectroscopic techniques—including in situ FTIR, EIS, and DEMS—to thoroughly elucidate the mechanisms of interaction between the electrolyte and electrode materials. Finally, we evaluated 2 Ah pouch cells under both normal and extreme conditions. Pouch cells with the newly developed electrolyte system demonstrated >90% capacity retention after 500 cycles under 4.5 V operating voltage, >80% capacity retention after 1000 cycles in coin cell level. In addition, the cells exhibited high safety and reliable operation capability over a wide temperature range from −30 °C to +45 °C.

25 ENERGY STORAGE↗

NASA NTRS2022

Electrodeionization Salt Removal from Water

This project developed a method to selectively extract sodium (Na) from complex, mission-relevant wastewaters using electricity as a driving force. The team investigated capacitive deionization (CDI), which has been used for general desalination but not for selective removal of Na. Three tasks supported this overall aim: designing and building a reactor and electrodes, engineering absorption and desorption parameters, and investigating varying water compositions and sources. Potential benefits of this approach include integrating into existing Environmental Control & Life Support Systems (ECLSS) treatment trains, reducing salinity for hydroponic installations, and producing food preservatives. Significant accomplishments, including building new reactors and characterizing their optimal operations and applications, advance the frontier of in-situ resource utilization for planetary habitation.

Luke Roberson↗

NASA NTRSDate not supplied

Improving Cell-Level Specific Energy for All-Solid-State Lithium Sulfur Batteries

All-solid-state lithium-sulfur (Li-S) batteries are considered as one of the top choices toward 500 Wh/kg of specific energy, a key metric for an energy storage system to enable large regional electric aircrafts. Many obstacles remain, such as S utilization in the cathode, cyclability regarding both cathode and anode as well as electrode-electrolyte interfaces, and effective means to increase the S content within the all-solid-state cell architecture. The latter is directly related to cell-level specific energy when considering the weights of all battery cell components. In this presentation, we discuss the efforts in both cathode optimization and cell-level improvement toward increasing the overall specific energy. Various strategies for improving S utilization and reducing the solid electrolyte layer thickness will be presented.

Solid state batteries↗

NASA NTRS1982

Optimal preparation of the ECC ozonesonde

The ECC background current was identified as the removal of residual tri-iodide (iodine) as the cell approaches equilibrium. The altitude dependence of this source of the background current is expected to be only slowly changed in the troposphere with a more rapid decrease in the stratosphere. Oxygen does not play a role in the background current except in the unlikely situation where the electrodes have had all forms of iodine removed from them and the electrodes have not re-equilibrated with the sonde solutions before use. A solution mass transport parameter in the ECC was identified and its altitude dependence determined. The mass transport of tri-iodide dominates in the chemical transduction of ozone to electrical signal. The effect of the mass transport on the ECC background current is predicted. An electrochemical model of the ECC has been developed to predict the response of the ECC to various ozone vertical profiles. The model corresponds very closely to the performance of the ECC in the laboratory. Based on this model, an ECC with no background current is predicted to give total ozone values within 1% of the correct value, although the vertical profile may be in error by as much as + or - 15%.

Thornton, D. C.↗

NASA NTRS2007

Compact Packaging of Photonic Millimeter-Wave Receiver

A carrier structure made from a single silicon substrate is the basis of a compact, lightweight, relatively inexpensive package that holds the main optical/electronic coupling components of a photonic millimeter-wave receiver based on a lithium niobate resonator disk. The design of the package is simple and provides for precise relative placement of optical components, eliminating the need for complex, bulky positioning mechanisms like those commonly used to align optical components to optimize focus and coupling. Although a prototype of the package was fabricated as a discrete unit, the design is amenable to integration of the package into a larger photonic and/or electronic receiver system. The components (see figure) include a lithium niobate optical resonator disk of 5-mm diameter and .200- m thickness, positioned adjacent to a millimeter- wave resonator electrode. Other components include input and output coupling prisms and input and output optical fibers tipped with ball lenses for focusing and collimation, respectively. Laser light is introduced via the input optical fiber and focused into the input coupling prism. The input coupling prism is positioned near (but not in contact with) the resonator disk so that by means of evanescent-wave coupling, the input laser light in the prism gives rise to laser light propagating circumferentially in guided modes in the resonator disk. Similarly, a portion of the circumferentially propagating optical power is extracted from the disk by evanescent-wave coupling from the disk to the output coupling prism, from whence the light passes through the collimating ball lens into the output optical fiber. The lens-tipped optical fibers must be positioned at a specified focal distance from the prisms. The optical fibers and the prisms must be correctly positioned relative to the resonator disk and must be oriented to obtain the angle of incidence (55 in the prototype) required for evanescent-wave coupling of light into and out of the desired guided modes in the resonator disk. To satisfy all these requirements, precise alignment features are formed in the silicon substrate by use of a conventional wet-etching process. These features include a 5-mm-diameter, 50- m-deep cavity that holds the disk; two trapezoidal-cross-section recesses for the prisms; and two grooves that hold the optical fibers at the correct positions and angles relative to the prisms and disk. The fiber grooves contain abrupt tapers, near the prisms, that serve as hard stops for positioning the lenses at the focal distance from the prisms. There are also two grooves for prismadjusting rods. The design provides a little slack in the prism recesses for adjusting the positions of the prisms by means of these rods to optimize the optical coupling.

Nguyen, Hung↗

DOE OSTI2025

Perovskite Catalysts for Pure-Water-Fed Anion-Exchange-Membrane Electrolyzer Anodes: Co-design of Electrically Conductive Nanoparticle Cores and Active Surfaces

Anion-exchange-membrane water electrolyzers (AEMWEs) are a possible low-capital-expense, efficient, and scalable hydrogen-production technology with inexpensive hardware, earth-abundant catalysts, and pure water. However, pure-water-fed AEMWEs remain at an early stage of development and suffer from inferior performance compared with proton-exchange-membrane water electrolyzers (PEMWEs). One challenge is to develop effective non-platinum-group-metal (non-PGM) anode catalysts and electrodes in pure-water-fed AEMWEs. We show how LaNiO3-based perovskite oxides can be tuned by cosubstitution on both A- and B-sites to simultaneously maintain high metallic electrical conductivity along with a degree of surface reconstruction to expose a stable Co-based active catalyst. The optimized perovskite, Sr0.1La0.9Co0.5Ni0.5O3, yielded pure-water AEMWEs operating at 1.97 V at 2.0 A cm-2 at 70 °C with a pure-water feed, thus illustrating the utility of the catalyst design principles.

Zhai, Tingting↗

DOE OSTI2025

Battery charging goes quantum

Rechargeable lithium-ion batteries power consumer electronics and electric vehicles, making them an essential component of the modern economy. Although lithium-ion battery technology has improved continuously over the past decades, widespread adoption of electrified transportation requires charging in less than 15 min to be competitive with internal combustion engines. As a battery charges and discharges, lithium ions travel across the electrode-electrolyte interface. The rate at which lithium ions transfer is dictated by the structure and physical properties of electrolytes and lithium-storing electrodes. Yet, the exact chemical reaction mechanism underlying the insertion of lithium ions at the electrode-electrolyte interface remains elusive. On page 46 of this issue, Zhang et al. (1) report experimental evidence that shows that lithium-ion battery charge and discharge occur through a coupled ion-electron transfer mechanism. Furthermore, this could establish an experimental and theoretical platform to extract key parameters for optimizing charge transfer rates in lithium-ion batteries.

Warburton, Robert E. [Case Western Reserve Univers↗

NASA NTRS1989

New secondary batteries utilizing electronically conductive polymer cathodes

The objectives of this project are to optimize the transport rates in electronically conductive polypyrrole films by controlling the morphology of the film and to assess the utility of these films as cathodes in a lithium/polypyrrole secondary battery. During this research period, progress has been made in improving the charge transport rate of the supermolecular-engineered polypyrrole electrode by eliminating the polypyrrole baselayer that hampered earlier work. Also, the fibril density of the polypyrrole electrode was increased, providing more electroactive sites per unit area.

Martin, Charles R.↗

NASA NTRS1991

Effect of Polymer Electrode Morphology on Performance of a Lithium/Polypyrrole Battery

A variety of conducting polymer batteries were described in the recent literature. In this work, a Li/Polypyrrole secondary battery is described. The effect of controlling the morphology of the polymer on enhancement of counterion diffusion in the polymer phase is explored. A method of preparing conducting polymers was developed which yields high surface area per unit volume of electrode material. A porous membrane is used as a template in which to electrochemically polymerize pyrrole, then the membrane is dissolved, leaving the polymer in a fibrillar form. Conventionally, the polymer is electrochemically polymerized as a dense polymer film on a smooth Pt disk electrode. Previous work has shown that when the polymer is electrochemically polymerized in fribrillar form, charge transport rates are faster and charge capacities are greater than for dense, conventionally grown films containing the same amount of polymer. The purpose is to expand previous work by further investigating the possibilities of the optimization of transport rates in polypyrrole films by controlling the morphology of the films. The utility of fibrillar polypyrrole as a cathode material in a lithium/polymer secondary battery is then assessed. The performance of the fibrillar battery is compared to the performance of an analogous battery which employed a conventionally grown polypyrrole film. The study includes a comparison of cyclic voltammetry, shape of charge/discharge curves, discharge time and voltage, cycle life, coulombic efficiencies, charge capacities, energy densities, and energy efficiencies.

Nicholson, Marjorie Anne↗

NASA NTRS2003

Optimal Battery Charging for Damage Mitigation

Our control philosophy is to charge the NiH2 cell in such a way that the damage incurred during the charging period is minimized, thus extending its cycle life. This requires nonlinear dynamic model of NiH2 cell and a damage rate model. We must do this first. This control philosophy is generally considered damage mitigating control or life-extending control. This presentation covers how NiH2 cells function, electrode behavior, an essentialized model, damage mechanisms for NiH2 batteries, battery continuum damage modeling, and battery life models. The presentation includes graphs and a chart illustrating how charging a NiH2 battery with different voltages and currents affects damages the battery and affects its life. The presentation concludes with diagrams of control system architectures for tracking battery recharging.

Hartley, Tom T.↗

DOE OSTI2025

Scalable Solution-Processed Electrolyte Membranes with Optimized Microstructure for High-Performance Protonic Ceramic Electrochemical Cells

Proton-conducting electrochemical cells (PCECs) are promising for efficient hydrogen production, but achieving dense, uniform, thin electrolyte layers remains a key challenge, particularly for scalable fabrication. Here, we present a solution-processed deposition approach with a mechanistically optimized slurry for uniform electrolyte formation. By tailoring particle size distribution, solid loading, and solvent/additive balance, we regulated wetting behavior and evaporation kinetics of the electrolyte slurry to promote homogeneous electrolyte particle packing. These features facilitate tight grain boundary contact and early stage neck growth during sintering, eliminating residual porosity, and improving mechanical integrity. The resulting ∼15 μm thick electrolyte shows high density, strong electrode adhesion, and stable interfaces outperforming the previously reported spray-based fabricated electrolyte by about 31% at 600 °C in FC mode. Single cells deliver 0.962 W cm –2 at 600 °C in fuel cell mode and 1.31 A cm –2 at 1.3 V in electrolysis mode, maintaining robust performance over 100 h with negligible degradation (≤0.02% h –1 ) in each mode. Scale-up to 2.5 cm diameter substrates confirmed reproducible densification and geometric stability. This work demonstrates a cost-effective, scalable route where control over particle-fluid interactions and drying dynamics enables a superior electrolyte microstructure and high PCEC performance.

dense microstructure↗

DOE OSTI2025

Impacts of the Conductive Networks on Solid‐State Battery Operation

The micromorphology of composite cathodes is known to play a vital role in determining all-solid-state battery (ASSB) performance. However, much of our current understanding is derived from empirical observations, lacking a deeper mechanistic foundation. The “rocking chair” concept of battery chemistry requires maintaining charge neutrality, emphasizing the necessity of examining electrode micromorphology from the perspective of conductive networks. This study systematically investigates the microscopic electrochemical impacts of conductive network micromorphology by varying the Li + -to-e − channel ratio in cathodes comprising LiNbO 3 -coated LiNi 0.8 Co 0.1 Mn 0.1 O 2 , Li 6 PS 5 Cl, and carbon fibers. Utilizing multiscale synchrotron-based spectro-microscopy, we unravel that unbalanced Li + and e − conducting channels intensify charge polarization within active cathode particles and accelerate their degradation. A further model system with X-ray nano-tomography resolved e − and Li + channels indicates that spatially uniform and well-paired Li + and e − conducting channels are highly desirable as they could promote more uniform lithiation/delithiation, mitigating microscopic electrochemical polarization. Electrode-scale X-ray holotomography analysis reveals that the impact of conductive networks is particle-size-dependent, with smaller cathode particles being more significantly affected. These findings provide mechanistic insights into the interplay between conductive networks and all-solid-state battery operation, laying the groundwork for rational design and optimization of cathode architectures in future solid-state battery technologies.

36 MATERIALS SCIENCE↗