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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Structure evolution and thermal stability of high-energy density Li-ion battery cathode Li 2 VO 2 F

Lithium-ion batteries (LIBs) provide high-energy-density electrochemical energy storage, which plays a central role in advancing technologies ranging from portable electronics to electric vehicles (EVs). However, a demand for lighter, more compact devices and for extended range EVs continues to fuel the need for higher energy density storage systems. Li 2 VO 2 F, which is synthesized in its lithiated state, allows two-electron transfer per formula during the electrochemical reaction providing a high theoretical capacity of 462 mAh/g. Herein, the synthesis and electrochemical performance of Li 2 VO 2 F are optimized. The thermal stability of Li 2 VO 2 F, which is related to the safety of a battery is studied by thermal gravimetric analysis. The structure and vanadium oxidation state evolution along Li cycling are studied by ex-situ X-ray diffraction and absorption techniques. It is shown that the rock-salt structure of pristine Li 2 VO 2 F is stable up to at least 250°C, and is preserved upon Li cycling, which proceeds by the solid-solution mechanism. However, not all Li can be removed from the structure upon charge to 4.5 V, limiting the experimentally obtained capacity.

25 ENERGY STORAGE↗
DOE OSTI2023

Single-shot switching in Tb/Co-multilayer based nanoscale magnetic tunnel junctions

Magnetic tunnel junctions (MTJs) are elementary units of magnetic memory devices. For high-speed and low-power data storage and processing applications, fast reversal of the magnetization by an ultrashort laser pulse is extremely important. Here we demonstrate single-shot switching of Tb/Co-multilayer based nanoscale MTJs by combining the optical writing and the electrical read-out methods. A 90-fs-long laser pulse switches the magnetization of the storage layer (SL). The change in the tunneling magnetoresistance (TMR) between the SL and a reference layer (RL) is probed electrically across the oxide barrier. Single-shot switching is demonstrated by varying the cell diameter from 300 nm to 20 nm. The anisotropy, magnetostatic coupling, and switching probability exhibit cell-size dependence. By suitable association of laser fluence and magnetic field, successive commutation between high-resistance and low-resistance states is achieved. The nature of the magnetization reversal of both SL and RL in a continuous film is probed with a depth-resolved magneto-optical Kerr effect (MOKE) magnetometry. The ultrafast dynamics in the continuous full-MTJ stack is investigated with the time-resolved pump–probe technique. Our experimental findings provide strong support for the growing interest in ultrafast spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Emittance and lifetime measurement with damping wigglers

National Synchrotron Light Source II (NSLS-II) is a new third-generation storage ring light source at Brookhaven National Laboratory. The storage ring design calls for small horizontal emittance (<1 nm-rad) and diffraction-limited vertical emittance at 12 keV (8 pm-rad). Achieving low value of the beam size will enable novel user experiments with nm-range spatial and meV-energy resolution. The high-brightness NSLS-II lattice has been realized by implementing 30-cell double bend achromatic cells producing the horizontal emittance of 2 nm rad and then halving it further by using several Damping Wigglers (DWs). This paper is focused on characterization of the DW effects in the storage ring performance, namely, on reduction of the beam emittance, and corresponding changes in the energy spread and beam lifetime. The relevant beam parameters have been measured by the X-ray pinhole camera, beam position monitors, beam filling pattern monitor, and current transformers. In this paper, we compare the measured results of the beam performance with analytic estimates for the complement of the 3 DWs installed at the NSLS-II.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

AI-Enhanced Co-Design for Next-Generation Microelectronics: Innovating Innovation (Workshop Report)

The Artificial Intelligence Enhanced Co-Design for Next Generation Microelectronics virtual workshop was held April 4-5, 2023, and attended by subject matter experts from universities, industry, and national laboratories. This was the third in a series of workshops to motivate the research community to identify and address major challenges facing microelectronics research and production. The 2023 workshop focused on a set of topics from materials to computing algorithms, and included discussions on relevant federal legislation and such as the Creating Helpful Incentives to Produce Semiconductors and Science Act (CHIPS Act) which was signed into law in the summer of 2022. Talks at the workshop included edge computing in radiation environments, new materials for neuromorphic computing, advanced packaging for microelectronics, and new AI techniques. We also received project updates from several of the Department of Energy (DOE) microelectronics co-design projects funded in the fall of 2021, and from three of the Energy Frontier Research Centers (EFRCs) that had been funded in the fall of 2022. The workshop also conducted a set of breakout discussions around the five principal research directions (PRDs) from the 2018 Department of Energy workshop report: 1) define innovative material, device, and architecture requirements driven by applications, algorithms, and software; 2) revolutionize memory and data storage; 3) re-imagine information flow unconstrained by interconnects; 4) redefine computing by leveraging unexploited physical phenomena; 5) reinvent the electricity grid through new materials, devices, and architectures. We tasked each breakout group to consider one primary PRD (and other PRDs as relevant topics arose during discussions) and to address questions such as whether the research community has embraced co-design as a methodology and whether new developments at any level of innovation from materials to programming models requires the research community to reevaluate the PRDs developed back in 2018.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Electrochemical Reactivity of Hydrogen Storage Materials: Exploring Borohydride and Hydrazinium Salt Mixtures

Electrochemical characterization of hydrogen storage materials was conducted in a non-aqueous environment to investigate the direct electrochemical release and consumption of hydrogen and the potential for regeneration. We first address the challenge of minimal solubility of the synthetic precursors, sodium borohydride (NaBH 4 ) and hydrazinium bromide (N 2 H 5 Br), in both organic and inorganic solvents. We next determine and calibrate a reference electrode formulation compatible with our non-aqueous media and analytes that demonstrates a stable reference potential. We employ cyclic voltammetry (CV) to characterize the precursors and mixtures thereof. Each CV peak is assigned to a corresponding electrochemical reaction. Using the rate-dependent CV method and Randles–Ševčík equation, we calculate the diffusion coefficient of each chemical (NaBH 4 and N 2 H 5 Br). Analysis of the CVs, coupled with 11B NMR analysis, reveals a room temperature chemical transformation of NaBH 4 and N 2 H 5 Br mixtures into hydrazine borane (N 2 H 4 BH 3 ). These results are particularly significant, considering the limited information available on the electrochemical characterization of metal borohydride and hydrazinium salt in non-aqueous media. This work establishes a foundation for adapting a non-aqueous electrochemical system to further study the borohydride family of chemistries and to design and develop electrochemical devices for direct electrical and chemical energy interconversion with hydrogen storage materials.

08 HYDROGEN↗
DOE OSTI2017

An Open Source Extensible Smart Energy Framework

Aggregated distributed energy resources are the subject of much interest in the energy industry and are expected to play an important role in meeting our future energy needs by changing how we use, distribute and generate electricity. This energy future includes an increased amount of energy from renewable resources, load management techniques to improve resiliency and reliability, and distributed energy storage and generation capabilities that can be managed to meet the needs of the grid as well as individual customers. These energy assets are commonly referred to as Distributed Energy Resources (DER). DERs rely on a means to communicate information between an energy provider and multitudes of devices. Today DER control systems are typically vendor-specific, using custom hardware and software solutions. As a result, customers are locked into communication transport protocols, applications, tools, and data formats. Today’s systems are often difficult to extend to meet new application requirements, resulting in stranded assets when business requirements or energy management models evolve. By partnering with industry advisors and researchers, an implementation DER research platform was developed called the Smart Energy Framework (SEF). The hypothesis of this research was that an open source Internet of Things (IoT) framework could play a role in creating a commodity-based eco-system for DER assets that would reduce costs and provide interoperable products. SEF is based on the AllJoynTM IoT open source framework. The demonstration system incorporated DER assets, specifically batteries and smart water heaters. To verify the behavior of the distributed system, models of water heaters and batteries were also developed. An IoT interface for communicating between the assets and a control server was defined. This interface supports a series of “events” and telemetry reporting, similar to those defined by current smart grid communication standards. The results of this effort demonstrated the feasibility and application potential of using IoT frameworks for the creation of commodity-based DER systems. All of the identified commodity-based system requirements were met by the AllJoyn framework. By having commodity solutions, small vendors can enter the market and the cost of implementation for all parties is reduced. Utilities and aggregators can choose from multiple interoperable products reducing the risk of stranded assets. Based on this research it is recommended that interfaces based on existing smart grid communication protocol standards be created for these emerging IoT frameworks. These interfaces should be standardized as part of the IoT framework allowing for interoperability testing and certification. Similarly, IoT frameworks are introducing application level security. This type of security is needed for protecting application and platforms and will be important moving forward. Recommendations are that along with DER-based data model interfaces, platform and application security requirements also be prescribed when IoT devices support DER applications.

25 ENERGY STORAGE↗
DOE OSTI2018

Local control of defects and switching properties in ferroelectric thin films

Electric-field switching of polarization is the building block of a wide variety of ferroelectric devices. In turn, understanding the factors affecting ferroelectric switching and developing routes to control it are of great technological significance. This research provides systematic experimental evidence of the role of defects in affecting ferroelectric-polarization switching and utilizes the ability to deterministically create and spatially locate point defects in $PbZr_{0.2}Ti_{0.8}O_3$ thin films via focused-helium-ion bombardment and the subsequent defect-polarization coupling as a knob for on-demand control of ferroelectric switching (e.g., coercivity and imprint). At intermediate ion doses ($0.22-2.2×10^{14}\,ions\,cm^{-2}$), the dominant defects (isolated point defects and small clusters) show a weak interaction with domain walls (pinning potentials from $200-500\,K\,MV\,cm^{-1}$), resulting in small and symmetric changes in the coercive field. At high doses ($0.22-1×10^{15}\,ions\,cm^{-2}$), on the other hand, the dominant defects (larger defect complexes and clusters) strongly pin domain-wall motion (pinning potentials from 500 to $1600\,K\,MV\,cm^{-1}$), resulting in a large increase in the coercivity and imprint, and a reduction in the polarization. This local control of ferroelectric switching provides a route to produce novel functions; namely, tunable multiple polarization states, rewritable pre-determined 180° domain patterns, and multiple zero-field piezoresponse and permittivity states. Such an approach opens up pathways to achieve multilevel data storage and logic, nonvolatile self-sensing shape-memory devices, and nonvolatile ferroelectric field-effect transistors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Synergistically integrated phosphonated poly(pentafluorostyrene) for fuel cells

Modern electrochemical energy conversion devices require more advanced proton conductors for their broad applications. Phosphonated polymers have been proposed as anhydrous proton conductors for fuel cells. However, the anhydride formation of phosphonic acid functional groups lowers proton conductivity and this prevents the use of phosphonated polymers in fuel cell applications. Here, we report a poly(2,3,5,6-tetrafluorostyrene-4-phosphonic acid) that does not undergo anhydride formation and thus maintains protonic conductivity above 200 °C. We use the phosphonated polymer in fuel cell electrodes with an ion-pair coordinated membrane in a membrane electrode assembly. We find that this synergistically integrated fuel cell reached peak power densities of 1,130 mW cm -2 at 160 °C and 1,740 mW cm -2 at 240 °C under H2/O2 conditions, substantially outperforming polybenzimidazole- and metal phosphate-based fuel cells. Our result indicates a pathway towards using phosphonated polymers in high-performance fuel cells under hot and dry operating conditions.

25 ENERGY STORAGE↗
DOE OSTI2021

Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications

Optimization of materials’ performance for specific applications often requires balancing multiple aspects of materials’ functionality. Even for the cases where a generative physical model of material behavior is known and reliable, this often requires search over multidimensional function space to identify low-dimensional manifold corresponding to the required Pareto front. In this work, we introduce the multi-objective Bayesian optimization (MOBO) workflow for the ferroelectric/antiferroelectric performance optimization for memory and energy storage applications based on the numerical solution of the Ginzburg–Landau equation with electrochemical or semiconducting boundary conditions. MOBO is a low computational cost optimization tool for expensive multi-objective functions, where we update posterior surrogate Gaussian process models from prior evaluations and then select future evaluations from maximizing an acquisition function. Using the parameters for a prototype bulk antiferroelectric (PbZrO 3 ), we first develop a physics-driven decision tree of target functions from the loop structures. We further develop a physics-driven MOBO architecture to explore multidimensional parameter space and build Pareto-frontiers by maximizing two target functions jointly—energy storage and loss. This approach allows for rapid initial materials and device parameter selection for a given application and can be further expanded toward the active experiment setting. The associated notebooks provide both the tutorial on MOBO and allow us to reproduce the reported analyses and apply them to other systems (https://github.com/arpanbiswas52/MOBO_AFI_Supplements).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Module-OT: A Turnkey Solution for Securing Energy Systems

The Modular Security Apparatus for Managing Distributed Cryptography for Command-and-Control Messages on Operational Technology Networks (Module-OT) is a flexible and lightweight solution for grid-edge devices focusing on end-to-end security. It is a bump- in- the-wire solution acting as a secure conduit for data between devices or systems across a network. It improves the cybersecurity posture of DER systems by providing authentication, authorization, and data integrity to secure DER communications. Additionally, it performs key management, provides data security through whitelisting Internet Protocol addresses and ports, blocks unauthorized connections, controls user access, and allows serial or Ethernet connections for added flexibility. The core software is portable to various Linux-based operating systems and is developed to be customized by the developer and researcher communities. Module-OT has been validated in the lab, has been demonstrated at a 500-KW PV-plus-storage site, and has been proven ready to secure operational technology devices. Its core functionality meets current standards, including validation procedures of the NIST Cryptographic Algorithm Validation Program (CAVP) and the Federal Information Processing Standard (FIPS 140-2). Because of its capability to provide an accessible and affordable option for stepping up security across modern energy systems, Module-OT can serve as an effective technological option to standardize cybersecurity moving forward.

cryptography↗
DOE OSTI2016

Shapeable magnetoelectronics

Inorganic nanomembranes are shapeable (flexible, printable, and even stretchable) and transferrable to virtually any substrate. These properties build the core concept for new technologies, which transform otherwise rigid high-speed devices into their shapeable counterparts. This research is motivated by the eagerness of consumer electronics towards being thin, lightweight, flexible, and even wearable. The realization of this concept requires all building blocks as we know them from rigid electronics (e.g., active elements, optoelectronics, magnetoelectronics, and energy storage) to be replicated in the form of (multi)functional nanomembranes, which can be reshaped on demand after fabrication. There are already a variety of shapeable devices commercially available, i.e., electronic displays, energy storage elements, and integrated circuitry, to name a few. From the beginning, the main focus was on the fabrication of shapeable high-speed electronics and optoelectronics. Only very recently, a new member featuring magnetic functionalities was added to the family of shapeable electronics. With their unique mechanical properties, the shapeable magnetic field sensor elements readily conform to ubiquitous objects of arbitrary shapes including the human skin. This feature leads electronic skin systems beyond imitating the characteristics of its natural archetype and extends their cognition to static and dynamic magnetic fields that by no means can be perceived by human beings naturally. Various application fields of shapeable magnetoelectronics are proposed. The developed sensor platform can equip soft electronic systems with navigation, orientation, motion tracking, and touchless control capabilities. A variety of novel technologies, such as smart textiles, soft robotics and actuators, active medical implants, and soft consumer electronics, will benefit from these new magnetic functionalities. This review reflects the establishment of shapeable magnetic sensorics, describing the entire development from the first attempts to verify the functional concept to the realization of ready-to-use highly compliant and strain invariant sensor devices with remarkable robustness.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Balancing Ionic and Electronic Conduction for High‐Performance Organic Electrochemical Transistors

Abstract Conjugated polymers that support mixed (electronic and ionic) conduction are in demand for applications spanning from bioelectronics to energy harvesting and storage. To design polymer mixed conductors for high‐performance electrochemical devices, relationships between the chemical structure, charge transport, and morphology must be established. A polymer series bearing the same p‐type conjugated backbone with increasing percentage of hydrophilic, ethylene glycol side chains is synthesized, and their performance in aqueous electrolyte gated organic electrochemical transistors (OECTs) is studied. By using device physics principles and electrochemical analyses, a direct relationship is found between the OECT performance and the balanced mixed conduction. While hydrophilic side chains are required to facilitate ion transport—thus enabling OECT operation—swelling of the polymer is not de facto beneficial for balancing mixed conduction. It is shown that heterogeneous water uptake disrupts the electronic conductivity of the film, leading to OECTs with lower transconductance and slower response times. The combination of in situ electrochemical and structural techniques shown here contributes to the establishment of the structure–property relations necessary to improve the performance of polymer mixed conductors and subsequently of OECTs.

Savva, Achilleas↗
DOE OSTI2022

Reduced Stochastic Resistive Switching in Organic-Inorganic Hybrid Memristors by Vapor-Phase Infiltration

We report resistive random-access memory (RRAM) is promising for next-generation data storage and non-von Neumann computing hardware. However, tuning device switching characteristics and particularly, controlling their stochastic variation remain as critical challenges. Here, new organic-inorganic hybrid RRAM media are reported whose bipolar switching characteristics and stochasticity can be controlled by vapor-phase infiltration (VPI), an ex situ hybridization technique derived from atomic layer deposition. Hybrid RRAMs based on AlO x -infiltrated SU-8 feature facile tunability of device switching voltages, off-state current, and on-off ratio by adjusting the amount of infiltrated AlO x in the hybrid. Furthermore, a significant reduction in the stochastic, cycle-to-cycle variations of switching parameters is enabled by AlO x infiltration, driven by the infiltration-induced changes in mechanical, dielectric, and chemical properties of organic medium and their influence on the dimension and formation characteristics of conductive filaments. Finally, multi-level analog switching potentially useful for neuromorphic applications are demonstrated, along with direct, one-step device patterning exploiting the negative-tone resist feature of SU-8. With the demonstrated control over switching characteristics and stochastic variation, combined with analog switching and one-step patterning capabilities, the results not only present a novel hybrid medium for RRAM applications but also showcase the utility of VPI for developing new, high-performance hybrid RRAM devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Thin film surface modifications of thin/tunable liquid/gas diffusion layers for high-efficiency proton exchange membrane electrolyzer cells

We present that a proton exchange membrane electrolyzer cell (PEMEC) is one of the most promising devices for high-efficiency and low-cost energy storage and ultrahigh purity hydrogen production. As one of the critical components in PEMECs, the titanium thin/tunable LGDL (TT-LGDL) with its advantages of small thickness, planar surface, straight-through pores, and well-controlled pore morphologies, achieved superior multifunctional performance for hydrogen and oxygen production from water splitting even at low temperature. Different thin film surface treatments on the novel TT-LGDLs for enhancing the interfacial contacts and PEMEC performance were investigated both in-situ and ex-situ for the first time. Surface modified TT-LGDLs with about 180 nm thick Au thin film yielded performance improvement (voltage reduction), from 1.6849 V with untreated TT-LGDLs to only 1.6328 V with treated TT-LGDLs at 2.0 A/cm 2 and 80°C. Furthermore, the hydrogen/oxygen production rate was increased by about 28.2% at 1.60 V and 80°C. The durability test demonstrated that the surface treated TT-LGDL has good stability as well. Finally, the gold electroplating surface treatment is a promising method for the PEMEC performance enhancement and titanium material protection even in harsh environment.

08 HYDROGEN↗
DOE OSTI2023

Damage-free X-ray spectroscopy characterization of oxide thin films

Thin polymer or oxide films are ubiquitous components in many devices, including membranes for filtration or electrodes in electrochemical energy storage. High energy electron or x-ray probes for microscopy and spectroscopy are useful to characterize and understand these materials. However, irreversible damage by the probe radiation remains a challenge. Here, we show that graphene serves as an x-ray and electron transparent substrate that substantially reduces radiation damage of an oxide thin film. We demonstrate this using highly focused x-ray beams, which show that compared to oxide thin films supported on a substrate, graphene-supported regions show minimal changes in the x-ray spectra as a function of x-ray dose. Further, these results pave the way for the development of experimental setups that allow for long exposure time measurements with limited sample damage and substrate-directed radiation patterning.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts

Here, a critical step in creating an artificial photosynthesis system for energy storage is designing catalysts that can thrive in an assembled device. Single-site catalysts have an advantage over bimolecular catalysts because they remain effective when immobilized. Hybrid water oxidation catalysts described here, combining the features of single-site bis-phosphonate catalysts and fast bimolecular bis-carboxylate catalysts, have reached turnover frequencies over 100 s –1 , faster than both related catalysts under identical conditions. The new [(bpHc)Ru(L) 2 ] (bpH 2 cH = 2,2'-bipyridine-6-phosphonic acid-6'-carboxylic acid, L = 4-picoline or isoquinoline) catalysts proceed through a single-site water nucleophilic attack pathway. The pendant phosphonate base mediates O–O bond formation via intramolecular atom-proton transfer with a calculated barrier of only 9.1 kcal/mol. Additionally, the labile carboxylate group allows water to bind early in the catalytic cycle, allowing intramolecular proton-coupled electron transfer to lower the potentials for oxidation steps and catalysis. That a single-site catalyst can be this fast lends credence to the possibility that the oxygen evolving complex adopts a similar mechanism.

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

An open-access database and analysis tool for perovskite solar cells based on the FAIR data principles

Large datasets are now ubiquitous as technology enables higher-throughput experiments, but rarely can a research field truly benefit from the research data generated due to inconsistent formatting, undocumented storage or improper dissemination. Here we extract all the meaningful device data from peer-reviewed papers on metal-halide perovskite solar cells published so far and make them available in a database. We collect data from over 42,400 photovoltaic devices with up to 100 parameters per device. We then develop open-source and accessible procedures to analyse the data, providing examples of insights that can be gleaned from the analysis of a large dataset. The database, graphics and analysis tools are made available to the community and will continue to evolve as an open-source initiative. This approach of extensively capturing the progress of an entire field, including sorting, interactive exploration and graphical representation of the data, will be applicable to many fields in materials science, engineering and biosciences.

14 SOLAR ENERGY↗
DOE OSTI2021

Solid-state rigid-rod polymer composite electrolytes with nanocrystalline lithium ion pathways

A critical challenge for next-generation lithium-based batteries lies in development of electrolytes that enable thermal safety along with use of high-energy-density electrodes. We describe molecular ionic composite (MIC) electrolytes based on an aligned liquid crystalline polymer combined with ionic liquids and concentrated Li salt. This high strength (200 MPa) and non-flammable solid electrolyte possesses outstanding Li + conductivity (1 mS cm -1 at 25 °C) and electrochemical stability (5.6 V vs Li|Li + ) while suppressing dendrite growth and exhibiting low interfacial resistance (32 Ω cm 2 ) and overpotentials (≤ 120 mV @ 1 mA cm -2 ) during Li symmetric cell cycling. A heterogeneous salt doping process modifies a locally ordered polymer-ion assembly to incorporate an inter-grain network filled with defective LiFSI & LiBF 4 nanocrystals, strongly enhancing Li + conduction. Furthermore, this modular material fabrication platform shows promise for safe and high-energy-density energy storage and conversion applications, incorporating the fast transport of ceramic-like conductors with the superior flexibility of polymer electrolytes.

25 ENERGY STORAGE↗