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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Probing lithium mobility at a solid electrolyte surface

Abstract Solid-state electrolytes overcome many challenges of present-day lithium ion batteries, such as safety hazards and dendrite formation 1,2 . However, detailed understanding of the involved lithium dynamics is missing due to a lack of in operando measurements with chemical and interfacial specificity. Here we investigate a prototypical solid-state electrolyte using linear and nonlinear extreme-ultraviolet spectroscopies. Leveraging the surface sensitivity of extreme-ultraviolet-second-harmonic-generation spectroscopy, we obtained a direct spectral signature of surface lithium ions, showing a distinct blueshift relative to bulk absorption spectra. First-principles simulations attributed the shift to transitions from the lithium 1 s state to hybridized Li- s /Ti- d orbitals at the surface. Our calculations further suggest a reduction in lithium interfacial mobility due to suppressed low-frequency rattling modes, which is the fundamental origin of the large interfacial resistance in this material. Our findings pave the way for new optimization strategies to develop these electrochemical devices via interfacial engineering of lithium ions.

25 ENERGY STORAGE↗
DOE OSTI2024

Solid-State, Single-Ion Conducting, Polymer Blend Electrolytes with Enhanced Li + Conduction, Electrochemical Stability, and Limiting Current Density

The development of solid-state polymer electrolytes with high lithium conductivity is crucial to improve lithium-ion battery performance and ameliorate the safety challenges associated with current solvent-based electrolytes. Unfortunately, sluggish polymer segmental dynamics are known to constrain conductivity enhancements in solid-state polymer electrolyte systems, limiting overall performance. In this work, a glassy single-ion-conducting polymer, poly[lithium sulfonyl(trifluoromethane sulfonyl)imide methacrylate] (PLiMTFSI), was blended with a flexible polymer, poly(oligo-oxyethylene methyl ether methacrylate) (POEM), and the impact of PLiMTFSI molecular weight and ion concentration on the thermal and ion-conducting behavior of blend electrolytes was investigated. High ionic conductivities approaching 1 × 10 -2 S/cm at 150 °C were realized in this polymer blend electrolyte system as a result of decoupling Li + transport from polymer segmental dynamics. The decoupled ion transport was attributed to the packing frustration of the glassy PLiMTFSI – sufficient percolating free volume was generated to produce effective ion diffusion pathways. This decoupling was tunable as the ion transport could be altered from being closely coupled to the polymer segmental dynamics (Vogel–Tammann–Fulcher-like) to hopping (Arrhenius-like) by increasing the PLiMTFSI molecular weight and ion concentration. Moreover, the immobilized TFSI anion resulted in high Li + selectivity (Li + transference number = 0.9), high electrochemical stability (up to 4.7 V against Li + / Li), and limiting current density of 1.8 mA/cm 2 (electrolyte thickness = 0.05 cm). These features suggest that this single-ion-conducting, polymer blend electrolyte might be a promising alternative to a benchmark system – salt-doped polyethylene oxide. Moreover, the above characteristics can support the battery operation at higher voltages using energy-dense Li metal anodes, with faster charging rates and enhanced energy/power densities. Altogether, the results suggest that polymer chain packing frustration can be exploited to overcome the constraints of slow polymer segmental relaxations to achieve rapid and highly selective ion transport and enhanced performance in solid-state polymer electrolytes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Operation and Control of Soft Switching Solid State Transformer as a Virtual Synchronous Machine for Photovoltaic Application

Possibility for control and operation of a three-phase solid state soft switching transformer based as a virtual synchronous machine or synchronverter has been investigated in this paper. The soft switching solid state transformer is used as an interface between the ac grid and a photovoltaic power generation unit supported by a battery bank. The control architecture investigated in this paper is that of a synchronverter to achieve inertial support to the grid and local loads. The operation of the soft switching solid state transformer has also been investigated as a V S M during unbalanced/distorted grid voltage condition. Control objective to achieve oscillation free power transfer between the ports (photovoltaic, battery and grid) has been achieved. The presented architecture has been verified for several important case studies via numerical simulations based on MATLAB/Simulink domain.

grid current controller↗
DOE OSTI2022

Polyanionic insertion hosts for aqueous rechargeable batteries

Safety concerns and costs of present-day lithium-ion batteries (LIBs) are prompting the development of alternate battery technologies with different types of electrolyte ( e.g. , solid-state, gel-polymer, aqueous, etc. ); notably, systems based on aqueous electrolytes have emerged as a promising alternative, especially for grid storage applications. The last decade has witnessed a considerable spike in the research carried out on aqueous batteries. However, the narrow operating voltage window of aqueous electrolytes and the structural instability of materials in aqueous media demand proper selection of cathode materials to achieve desirable energy density. Polyanionic materials can be an ideal choice as they are structurally more stable and exhibit tunable redox potentials. This class of materials is considered as a storehouse in which many materials can be realized by substituting different polyanionic subunits. Here, this review highlights some of the recent advances made in the polyanionic class of cathode materials for rechargeable aqueous batteries (Li-, Na- and Zn-ion batteries). The challenges facing the field, possible remedies to overcome them and future perspectives are also presented.

25 ENERGY STORAGE↗
DOE OSTI2024

Nano-enhanced solid-state hydrogen storage: Balancing discovery and pragmatism for future energy solutions

Nanomaterials have revolutionized the battery industry by enhancing energy storage capacities and charging speeds, and their application in hydrogen (H 2 ) storage likewise holds strong potential, though with distinct challenges and mechanisms. H 2 is a crucial future zero-carbon energy vector given its high gravimetric energy density, which far exceeds that of liquid hydrocarbons. However, its low volumetric energy density in gaseous form currently requires storage under high pressure or at low temperature. This review critically examines the current and prospective landscapes of solid-state H 2 storage technologies, with a focus on pragmatic integration of advanced materials such as metal-organic frameworks (MOFs), magnesium-based hybrids, and novel sorbents into future energy networks. These materials, enhanced by nanotechnology, could significantly improve the efficiency and capacity of H 2 storage systems by optimizing H 2 adsorption at the nanoscale and improving the kinetics of H 2 uptake and release. We discuss various H 2 storage mechanisms—physisorption, chemisorption, and the Kubas interaction—analyzing their impact on the energy efficiency and scalability of storage solutions. The review also addresses the potential of “smart MOFs”, single-atom catalyst-doped metal hydrides, MXenes and entropy-driven alloys to enhance the performance and broaden the application range of H 2 storage systems, stressing the need for innovative materials and system integration to satisfy future energy demands. High-throughput screening, combined with machine learning algorithms, is noted as a promising approach to identify patterns and predict the behavior of novel materials under various conditions, significantly reducing the time and cost associated with experimental trials. In closing, we discuss the increasing involvement of various companies in solid-state H 2 storage, particularly in prototype vehicles, from a techno-economic perspective. In conclusion, this forward-looking perspective underscores the necessity for ongoing material innovation and system optimization to meet the stringent energy demands and ambitious sustainability targets increasingly in demand.

25 ENERGY STORAGE↗
DOE OSTI2020

Kinetic Pathways Templated by Low-Temperature Intermediates during Solid-State Synthesis of Layered Oxides

Layered oxides have been the dominant cathodes in lithium-ion batteries, and among them, high-nickel (Ni) systems are attractive because of their high capacity. For practical use, synthetic control of stoichiometry and structural ordering is crucial but has been nontrivial due to the complexity inherent to synthesis reactions, which often proceed via nonequilibrium pathways. In this paper, we report here a combined in situ synchrotron X-ray diffraction and ab initio study of solid-state synthesis of layered oxides starting from acetate precursors for LiCoO 2 and LiNiO 2 and their solid solution LiNi 0.8 Co 0.2 O 2 . While all three systems ultimately evolve into the same thermodynamically stable layered phase ($R\overline{3}m$), each chemistry involves distinct metastable intermediates. We explain the phase progressions using a structural template model, demonstrating that during the synthesis of LiCoO 2 , the formed metastable spinel polymorph (Li 2 Co 2 O 4 ; $Fd\overline{3}m$) is a kinetically facile lithiation product of spinel Co 3 O 4 —the low-temperature (LT) intermediate from the decomposed Co-acetate. Similarly, in the Ni-based systems, the acetate decomposition products, rocksalts (Ni,Co)O, topotactically template the kinetic pathways of forming disordered rocksalts (Li x (Ni,Co) 2–x O 2 ; $Fm\overline{3}m$), consequently leading to off-stoichiometric Li x (Ni,Co)O 2 with undesired high Li/Ni mixing. These findings highlight new opportunities for engineering precursors to form LT intermediates that template the synthesis of target phases and structural properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Localizing Tungsten Single Atoms around Tungsten Nitride Nanoparticles for Efficient Oxygen Reduction Electrocatalysis in Metal–Air Batteries

Combining isolated atomic active sites with those in nanoparticles for synergizing complex multistep catalysis is being actively pursued in the design of new electrocatalyst systems. However, these novel systems have been rarely studied due to the challenges with synthesis and analysis. Herein, a synergistically catalytic performance is demonstrated with a 0.89 V (vs reversible hydrogen electrode) onset potential in the four-step oxygen reduction reaction (ORR) by localizing tungsten single atoms around tungsten nitride nanoparticles confined into nitrogen-doped carbon (W SAs/WNNC). Through density functional theory calculations, it is shown that each of the active centers in the synergistic entity feature a specific potential-determining step in their respective reaction pathway that can be merged to optimize the intermediate steps involving scaling relations on individual active centers. Impressively, the W SAs/WNNC as the air cathode in all-solid-state Zn-air and Al-air batteries demonstrate competitive durability and reversibility, despite the acknowledged low activity of W-based catalyst toward the ORR.

25 ENERGY STORAGE↗
DOE OSTI2020

Electrochemical generation of liquid and solid sulfur on two-dimensional layered materials with distinct areal capacities

It has recently been shown that sulfur, a solid material in its elementary form S8, can stay in a supercooled state as liquid sulfur in an electrochemical cell. We establish that this newly discovered state could have implications for lithium–sulfur batteries. Here, through in situ studies of electrochemical sulfur generation, we show that liquid (supercooled) and solid elementary sulfur possess very different areal capacities over the same charging period. To control the physical state of sulfur, we studied its growth on two-dimensional layered materials. We found that on the basal plane, only liquid sulfur accumulates; by contrast, at the edge sites, liquid sulfur accumulates if the thickness of the two-dimensional material is small, whereas solid sulfur nucleates if the thickness is large (tens of nanometres). Correlating the sulfur states with their respective areal capacities, as well as controlling the growth of sulfur on two-dimensional materials, could provide insights for the design of future lithium–sulfur batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Lithiating magneto-ionics in a rechargeable battery

Magneto-ionics, real-time ionic control of magnetism in solid-state materials, promise ultralow-power memory, computing, and ultralow-field sensor technologies. The real-time ion intercalation is also the key state-of-charge feature in rechargeable batteries. Here, we report that the reversible lithiation/delithiation in molecular magneto-ionic material, the cathode in a rechargeable lithium-ion battery, accurately monitors its real-time state of charge through a dynamic tunability of magnetic ordering. The electrochemical and magnetic studies confirm that the structural vacancy and hydrogen-bonding networks enable reversible lithiation and delithiation in the magnetic cathode. Coupling with microwave-excited spin wave at a low frequency (0.35 GHz) and a magnetic field of 100 Oe, we reveal a fast and reliable built-in magneto-ionic sensor monitoring state of charge in rechargeable batteries. The findings shown herein promise an integration of molecular magneto-ionic cathode and rechargeable batteries for real-time monitoring of state of charge.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Farm-level Interactions Study of a Novel Tri-port Soft-switching Medium-Voltage String Inverter (MVSI) based Large-scale PV-Plus-Storage Farms

A medium-voltage photovoltaic power conversion unit supported by battery based on a novel topology of soft switching solid state transformer is presented in this paper. It can reduce the Levelized Cost of Energy (LCOE) of PVS farm in an extended degree. However, its capability to provide grid-support services, such as frequency response, reactive power support, etc, have not been demonstrated. A series/parallel combination of these modules form a large 20 MVA solar farm. To validate them with reduced computation burden, a small-signal model of MVSI is firstly derived and validated in this paper. The model has been validated to match the full-switch model in both steady-state and dynamic conditions. Next, a farm-level simulation based on the proved small-signal model was implemented to demonstrate grid-support services. Real irradiation date from NREL is used to show the operational capabilities of the system. As a result, the overall farm is simulated based on MATLAB/Simulink domain to check the performance for various cases namely: power transfer from dc-ac side, reactive power support during grid voltage sag and utilization of battery during grid voltage disturbance or partial shading over PV panels.

14 SOLAR ENERGY↗
DOE OSTI2023

Na 3 Zr 2 Si 2 PO 12 Solid Electrolyte Membrane for High‐Performance Seawater Battery

Abstract Seawater batteries (SWBs) have gained tremendous interest in the electrochemical energy storage research field because of their low cost, natural abundance, and potential use for long‐duration energy storage. Advancing a SWB to demonstration projects is plagued by the poor electrochemical performance stemming from the poor interfaces of the solid electrolyte (SE), as well as the structural and chemical instabilities and sluggish ionic transport properties. In this study, the anode compartment of a surrogate SWB is constructed with a Na | SE | hard carbon configuration, and tailored dopants are introduced into the Nasicon‐type Na 3 Zr 2 Si 2 PO 12 (NZSP) SE membrane. After doping with TiO 2 , a much more densely packed pellet with uniformly distributed porous structure is obtained. Changes in surface chemistry and local structure in the bulk are observed, which are believed to contribute to the improved ionic conductivity and higher critical current density of the TiO 2 ‐doped NZSP. Stable cycling performance with reversible capacities based on different Na storage mechanisms are also demonstrated.

25 ENERGY STORAGE↗
DOE OSTI2024

NaSICON-type materials for lithium-ion battery applications: Progress and challenges

Lithium-ion batteries (LIBs) are widely used in electric vehicles, energy storage, smart grids, and portable devices due to their high average output voltage and energy density. NaSICON-type materials have been identified as potential candidates for electrode and solid electrolyte materials for LIBs due to their 3D framework, which contains Li + ions, excellent ionic conductivity, and thermal stability. NaSICON-type materials have a 3D framework and a fast Li + diffusion pathway, making them suitable for use in LIBs. However, their application as solid electrolytes is limited due to poorer ionic conductivity and interfacial stability compared to commercialized liquid electrolytes. Furthermore, their use as electrode materials is restricted by their low electronic conductivity. Here, this review provides an overview of NaSICON-type materials, including their common structure, Li + diffusion mechanism, and preparation strategies. The article also discusses the application and modification strategies of NaSICON-type materials for LIBs, classifying them as anode materials, cathode materials, and solid electrolyte materials. Additionally, the potential use of NaSICON-type materials as modification materials for cathode materials for LIBs is briefly mentioned. Building on previous work on NaSICON-type materials, we propose potential areas for further development and wider applications of these materials in LIBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Roadmap on advanced and / real-time characterisation of solid state materials and devices for energy applications

A strong societal and political drive is motivating the development and optimization of novel energy conversion and storage systems for decarbonization. The successful implementation of solid state devices such as fuel cells and secondary batteries depends, however, on achieving ambitious targets in terms of performance, reliability and cost competitiveness. Research and technology are addressing these needs through a holistic approach including exploration of new materials and nanoarchitectures, as well as system engineering. These significant efforts require the support of appropriate characterization tools capable of assessing nanometer-scale phenomena such as concentration profiles of ionic and electronic charges, local chemical compositions and their evolution over time across interfaces. This roadmap provides an overview of selected advanced characterization techniques for energy materials and devices. Specific focus is put on in situ/operando methods for probing electrochemical phenomena in real-time under realistic working conditions. Experts in the field provide an extensive review of the current state of the art in 2025 and the current and future challenges for the characterization of local chemistry and kinetics in the bulk of the material, in nanoarchitectures (e.g. thin films) and at the interfaces (e.g. grain boundaries, phase contacts, solid/liquid and solid/gas interfaces) . The aim is to provide a detailed guide to the techniques, describing opportunities and bottlenecks for their practical deployment and examples of successful applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model

Solid-state synthesis is widely used to obtain various inorganic materials, such as battery materials and bulk thermoelectrics. Despite its prevalence, the process remains challenging due to the lack of a general theory and well-understood underlying reaction mechanisms. While prior works have successfully extracted structured datasets from literature, they often neglect product phase purity or yield. In this work, we construct a solid-state synthesis dataset consisting of 80,806 syntheses extracted with a large language model (LLM), including 18,869 reactions with impurity phase(s). Our dataset not only validates expected thermodynamic trends for impurity phase formation but also identifies challenging cases where impurity phases emerge even when the target phase is significantly more stable.

Lee, Sanghoon↗
DOE OSTI2023

High-Efficiency, Medium-Voltage-Input, Solid-State-Transformer-Based 400-kW/1000V/400A Extreme Fast Charger for Electric Vehicles

Range anxiety and long battery charging time continue to be critical challenges to mass adaptation of EVs. A major identified gap to wider adoption of BEVs is the ability and availability to refuel quickly or to fast charge. Studies have shown that in areas where drivers have access to 50-kW or 120-kW fast charge stations, annual electric vehicle (EV) miles traveled (i.e., eVMT) increased by over 25%, even in cases where fast charging was used for 1% to 5% of total charging events. Charge stations of higher power not only alleviate the “range anxiety” and reduce the driver’s waiting time, but also requires less investment. Michigan Energy Office completed a study in early 2019 titled “Electric Vehicle Charger Placement Optimization in Michigan: Phase I – Highways”. This study finds a system with 150kW chargers, though more expensive individually, actually has lower total system cost when compared to a 50kW charging system when serving the same battery size EV. To be truly competitive to the ICEV refueling experience, even higher power stations are necessary. However, high power charge stations would create large power draws from the grid. If this occurs during peak demand periods, grid capacity could be overloaded. This problem needs to be addressed to reduce the impact on the electric utility infrastructure. The main goal of this project is to develop a 400-kW/400-A XFC system targeting total efficiency of 96.5 percent from the MVAC grid to a vehicle. The novel SST power cell topology, combined with a new silicon carbide (SiC) MOSFET device, enables a 3.5 percent improvement in system efficiency, a 50-percent smaller equipment footprint, and four times less weight than today’s DCFC systems. The SST technology would directly utilize MVAC at 4.8-kV or 13.2-kV. This would eliminate the line frequency transformer (LFT), which steps down medium-voltage AC to 3-Phase 480-V line-to-line voltage in current DCFC systems.

42 ENGINEERING↗
DOE OSTI2026

Harnessing Chemical Short‐Range Disorder to Improve Lithium Retention in Epitaxial LLTO Solid‐Electrolyte Thin Films

Lithium lanthanum titanate Li 3x La 2/3-x TiO 3 (LLTO) is a promising perovskite-based solid-state electrolyte for next-generation lithium-ion batteries, but controlling crystallinity and Li stoichiometry in thin-film form is challenging because high growth temperatures are required to achieve good crystallinity while Li remains strongly volatile. Here, we systematically investigate the effect of substrate temperature on epitaxial LLTO thin films grown by pulsed laser deposition. We identify a narrow growth window (750–800°C) in which LLTO films grow as c-axis oriented with atomically flat surfaces. Lower growth temperatures (<750°C) stabilize laterally extended, chemically disordered stripe domains that coexist with ordered LLTO regions, whereas higher temperatures (≥825°C) suppress these defects but promote island morphologies and Al/Ti interdiffusion. While spectroscopy measurements show that Ti remains in the 4+ oxidation state and Li is globally deficient for all films, our depth-resolved time-of-flight secondary ion mass spectrometry studies reveal that the 700°C film retains the highest Li content across its thickness. These results clarify how growth temperature controls crystallinity, chemical short-range disorder, and Li retention, and highlight moderate growth temperatures (∼700°C) as a route to mitigate Li loss in epitaxial solid-electrolyte films.

chemical short-range disorder↗
DOE OSTI2021

An ultrathin solid-state electrolyte film coated on LiNi 0.8 Co 0.1 Mn 0.1 O 2 electrode surface for enhanced performance of lithium-ion batteries

We report layered Ni-rich oxide is a promising cathode material for lithium-ion batteries (LIBs) of high energy density, yet its poor electrochemical stability induced by electrode-electrolyte interfacial degradation has still needed to be addressed. Surface coating is one of the powerful techniques to tackle this issue, nevertheless, it has been extensively used on particle but not electrode regarding a larger area of protection. Herein, we have covered a nano-scaled layer of lithium phosphorus oxynitride (LiPON) on the electrode level of LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM) surface and found lower impedance, longer cycle life, and better safety for treated battery. Most notably, such an NCM-LiPON based 1.3 Ah pouch cell delivers an energy density of 364.4 Wh kg -1 (based on positive and negative materials), along with the retention of 80.0% over 745 cycles at 0.5 C-rate, which is 1.3 times longer than the bare one. This results from modification of both superficial cathode-electrolyte interphase (CEI) and structure stabilization of general particle surface, therefore, role of conformal coating upon electrode surface should be highlighted.

36 MATERIALS SCIENCE↗