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At least 433 records · Page 24

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DOE OSTI2022

HydroGEN Overview: A Consortium on Advanced Water Splitting Materials

advanced water splitting technologies↗

DOE OSTI2023

HydroGEN Overview: A Consortium on Advanced Water Splitting Materials

HydroGEN is a multi-lab consortium focused on early-stage R&D in H2 production, supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO). The consortium advances research and development (R&D) of innovative materials for advanced water splitting (AWS) technologies to enable clean, sustainable and low-cost ($1/kg H2) hydrogen production and fosters cross-cutting innovation using theory-guided applied materials R&D to advance all emerging water-splitting pathways for hydrogen production. HydroGEN is focused on low technology readiness level AWS technologies, including low- (alkaline exchanged membrane electrolysis) and high-temperature electrolysis (proton-conducting solid oxide electrolysis), photoelectrochecmical (PEC) and solar thermochemical (STCH) water splitting. This presentation will provide an overview of the HydroGEN EMN and technical highlights of a few lab-led and FOA-awarded R&D projects. HydroGEN continues to grow its community of industry, university, and national laboratories, forming a national innovation ecosystem focused on renewable hydrogen production.

advanced water splitting materials↗

DOE OSTI2023

The effect of secondary phases on microstructure and irradiation damage in an as-built additively manufactured 316 L stainless steel with a hafnium compositional gradient

Additive manufacturing (AM) or rapid prototyping has become a crucial tool for reducing both cost and time while increasing efficiency in qualifying structural materials for reactor use. In this study, directed energy deposition (DED) was used to develop an as-built 316 L stainless steel sample with three regions of increasing Hf-dopant to study the effects of Hf on the irradiation response of the material. Morphological and microstructural changes were analyzed before and after 2 MeV proton irradiation at 360 °C to a damage of 2.5 dpa at ~ 10 µm below the surface. The addition of Hf effectively suppressed radiation-induced damage (dislocation loops, radiation-induced segregation) due to enhanced point defect recombination. The radiation damage seen in the as-built sample was further compared to a thermo-mechanically treated counterpart of the same fabrication and irradiation parameters which was found to behave superiorly. In conclusion, the increased radiation resistance of this material may be attributed to the as-built microstructure, which includes undissolved Hf particles, delta ferrite grains and cellular sub-grain boundaries that can hinder defect motion.

316L Stainless Steel↗

DOE OSTI2022

Multi-lab study on the pure-gas permeation of commercial polysulfone (PSf) membranes: Measurement standards and best practices

Gas-separation membranes are a critical industrial component for a low-carbon and energy-efficient future. As a result, many researchers have been testing membrane materials over the past several decades. Unfortunately, almost all membrane-based testing systems are home-built, and there are no widely accepted material standards or testing protocols in the literature, making it challenging to accurately compare experimental results. Further, in this multi-lab study, ten independent laboratories collected high-pressure pure-gas permeation data for H 2 , O 2 , CH 4 , and N 2 in commercial polysulfone (PSf) films. Equipment information, testing procedures, and permeation data from all labs were collected to provide (1) accepted H 2 , O 2 , CH 4 , and N 2 permeability values at 35°C in PSf as a reference standard, (2) statistical analysis of lab-to-lab uncertainties in evaluating permeability, and (3) a list of best practices for sample preparation, equipment set-up, and permeation testing using constant-volume variable-pressure apparatuses. Results summarized in this work provide a reference standard and recommended testing protocols for pure-gas testing of membrane materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Chemical looping based ammonia production - A promising pathway for production of the noncarbon fuel

Ammonia, primarily made with Haber–Bosch process developed in 1909 and winning two Nobel prizes, is a promising noncarbon fuel for preventing global warming of 1.5 °C above pre-industrial levels. However, the undesired characteristics of the process, including high carbon footprint, necessitate alternative ammonia synthesis methods, and among them is chemical looping ammonia production (CLAP) that uses nitrogen carrier materials and operates at atmospheric pressure with high product selectivity and energy efficiency. To date, neither a systematic review nor a perspective in nitrogen carriers and CLAP has been reported in the critical area. So, this work not only assesses the previous results of CLAP but also provides perspectives towards the future of CLAP. It classifies, characterizes, and holistically analyzes the fundamentally different CLAP pathways and discusses the ways of further improving the CLAP performance with the assistance of plasma technology and artificial intelligence (AI).

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Scalable Frontal Oligomerization: Insights from Advanced Mass Analysis

Linear oligomers of dicyclopentadiene (DCPD) are reactive precursors for thermoplastic and thermoset materials. Unlike the foul-smelling parent monomer, oligomers composed of DCPD are odorless. With appropriate modification of the end-group or backbone chemistry, telechelic DCPD oligomers have potential utility as cross-linkers and as macromonomer precursors for block and graft copolymers. Most existing methods to produce oligo-DCPD, however, require solvent, are relatively slow, and necessitate air-free techniques. Here we show that frontal ring-opening metathesis oligomerization (FROMO) of neat DCPD and other norbornene derivatives rapidly generates hundreds of grams of material in minutes with catalyst loadings of 0.5 mM. This energy-efficient catalytic process utilizes the heat generated by the reaction to self-propagate oligomerization throughout the liquid monomer. FROMO employs a terminal olefin (e.g., styrene) in which a cross-metathesis reaction (i.e., chain transfer) competes with ring-opening metathesis (i.e., propagation). Kendrick mass analysis enables rapid identification and assignment of all the chain-end types present and quantifies the degree of branching resulting from the infrequent cyclopentene ring-opening reaction. This analytical technique also detects oligomer species derived from trace impurities in the monomer or chain-transfer agent that are otherwise difficult to observe with other characterization methods. Here, the obtained oligomers possess well-defined chain-ends and molecular weight distributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Energy burden aware and thermal resilience informed thermal energy storage system planning for disadvantaged communities

Disadvantaged communities often face a disproportionate energy burden because they need to allocate a higher percentage of their income to energy costs. More importantly, climate change-induced extreme weather events, such as heat waves and severe cold snaps, exacerbate these communities’ energy burdens. As a result, low- and medium-income communities are more likely to experience energy supply disruptions, increased health risks, and elevated energy bills because of inadequate thermal insulation and airtightness in their houses. Thermal energy storage (TES) systems, such as large-scale (community-level) geothermal energy storage and small-scale (building-level) phase change material (PCM)–based storage, have a great potential to improve building energy efficiency and to enhance thermal comfort, load shifting, and integration with renewable energy. The objective of this study is to optimally allocate building level PCM-based TES systems at the community level by considering energy equity and extreme weather effects. To this end, we developed an energy burden and thermal resilience–informed TES system planning framework, which includes three modules: (1) a community-level energy burden and thermal resilience assessment module, (2) building-level a TES system integration and assessment module, and (3) a community-level optimal planning module. Case studies were conducted on four disadvantaged communities in Montgomery and Shelby Counties in Tennessee with energy burdens >10% and with high percentages of people of color. The results indicate that this comprehensive planning framework can assist disadvantaged communities in reducing their energy burden and in bolstering their resilience against the adverse effects of climate change.

Shen, Zhenglai↗

DOE OSTI2025

Development of a Helical Closure for Radioactive Material Shipping Packages

The Savannah River National Laboratory (SRNL) Packaging Technology group proposed a closure design for the outer packaging of a prototype Type B shipping package being developed for the Department of Energy (DOE). The closure design provides an efficient means of securing the containment vessel (CV) within the radioactive material packaging. This design has a simplified operation, requires less components, and less maintenance when compared to current radioactive material package closure methods. This paper will review and discuss the materials, designs, processes, and testing activities that were considered and pursued in the development of the novel closure for the outer packaging of new radioactive material shipping packages.

Housley, William M. [Savannah River National Labor↗

DOE OSTI2021

Efficient excimer-based white OLEDs with reduced efficiency roll-off

A tetradentate Pt(II) complex, Pt2O2-p2m, which exhibits both efficient monomer and excimer emission, was synthesized. Through rational device design to broaden the recombination zone, an OLED device employing Pt2O2-p2m demonstrated an impressively high peak external quantum efficiency (EQE) of 21.5% and a warm white emission with a color rendering index of 71 and Commission Internationale de L'Eclairage coordinates of (0.409, 0.458). Moreover, a reduced efficiency roll-off was also observed to retain high EQE values of 20% EQE at 1000 cd/m 2 and 17% EQE at 5000 cd/m 2 , and an LT70 (time to 70% initial luminance) was estimated to be over 150 h at 1000 cd/m2 under constant operation at accelerated driving conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Improving indirect-drive ablator performance through pulse shaping and material selection in double shell implosions

The double shell path to inertially confined volumetric thermonuclear burn relies on efficient kinetic energy transfer from an outer ablator shell to an inner shell containing DT fuel at implosion velocities near 250 km/s. In order to experimentally realize adequate compression, target imperfections and assembly features must be tightly controlled. Pulse shape and ablator material are critical design choices that impact all aspects of the implosion. In this article, we evaluate three designs: an Al ablator with single-shock radiation drive, a CH ablator with single-shock drive, and a CH ablator with reduced-adiabat 2-shock drive. All designs use the same W inner (pusher) shell overcoated with a glow discharge polymer tamper and filled with liquid-density DT. One-dimensional HYDRA simulations revealed that the plastic ablator design required the use of the 2-shock drive to match the performance of the Al design. Two-dimensional simulations resolving broadband surface roughness up to modes of several hundred placed only on the ablator showed plastic to greatly outperform Al. The plastic ablator designs did exhibit higher levels of inner shell instability growth when surface roughness was only placed at the pusher/tamper interface, which was mitigated with higher foam cushion densities. A unique and additional benefit of a plastic ablator is also discussed, where heating of the ablator by Au M-band radiation is predicted to rapidly expand the hemi-shell surfaces, closing the equatorial joint gap ahead of the first shock. Taken together, the properties of the plastic ablator for indirect-drive double shell implosions appear promising in removing several long-standing fabrication challenges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Operational Limits of Redox Metal Oxides Performing Thermochemical Water Splitting

Solar thermochemical hydrogen production is an attractive technology that stores intermittent solar energy in the form of chemical bonds. Efficient operation requires the identification of a redox-active metal oxide (MO x ) material that can achieve high conversion of water to hydrogen at minimal energy input. Water splitting occurs by consecutive reduction and reoxidation reactions of MO x . MO x is reduced to MO x-δ and, in the second step, is reoxidized by water recovering the initial MO x and generate H 2 . The material must reduce at temperatures achievable in concentrated solar receiver/reactors, while maintaining a thermodynamic driving force to split water. At equilibrium, extent of reduction depends on temperature and oxygen partial pressure, and in this analysis, a set of thermodynamic properties, namely, enthalpy and entropy of oxygen vacancy formation, is sufficient to represent MO x . Herein, a method to easily classify materials based on these thermodynamic properties under any condition of oxygen partial pressure and temperature is presented. This method is based on fundamental thermodynamic principles and is applicable for any redox material with known thermodynamic properties. Despite the simplicity of the method, it is believed that this analysis will support future research in targeting thermodynamic properties of redox-active metal oxides.

water splitting↗

DOE OSTI2022

Stable salt hydrate-based thermal energy storage materials

Heating and cooling systems in building infrastructure utilize conventional materials that account for a considerable amount of energy usage and waste. Phase change material (PCM) is considered a promising candidate for thermal energy storage that can improve energy efficiency in building systems. In this work, a novel salt hydrate-based PCM composite with high energy storage capacity, relatively higher thermal conductivity, and excellent thermal cycling stability was designed and developed. The thermal cycling stability of the PCM composite was enhanced by using dextran sulfate sodium (DSS) salt as a polyelectrolyte additive, which significantly reduced the phase segregation of salt hydrate. The energy storage capacity and the thermal conductivity of the composite were enhanced by the addition of various graphitic materials along with Borax nucleator. A significant increase in thermal cycling stability was observed for the DSS-modified composite, with over 100 thermal cycles without degradation. The final PCM composite exhibited as much as 290% increase in energy storage capacity relative to the pure salt hydrate, and approximately 20% increase in thermal conductivity. In addition, the PCM composite developed can be produced at larger scale, and can potentially change the future of heating/cooling system in building infrastructure.

42 ENGINEERING↗

DOE OSTI2020

Influence of Polymorphism on the Electronic Structure of Ga 2 O 3

The search for new wide-band-gap materials is intensifying to satisfy the need for more advanced and energy-efficient power electronic devices. Ga 2 O 3 has emerged as an alternative to SiC and GaN, sparking a renewed interest in its fundamental properties beyond the main β-phase. Here, three polymorphs of Ga 2 O 3 , α, β, and ε, are investigated using X-ray diffraction, X-ray photoelectron and absorption spectroscopy, and ab initio theoretical approaches to gain insights into their structure–electronic structure relationships. Valence and conduction electronic structure as well as semicore and core states are probed, providing a complete picture of the influence of local coordination environments on the electronic structure. State-of-the-art electronic structure theory, including all-electron density functional theory and many-body perturbation theory, provides detailed understanding of the spectroscopic results. The calculated spectra provide very accurate descriptions of all experimental spectra and additionally illuminate the origin of observed spectral features. This paper provides a strong basis for the exploration of the Ga 2 O 3 polymorphs as materials at the heart of future electronic device generations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

PtCoO 2 for Scaled Interconnects

Copper (Cu) interconnects are an increasingly important bottleneck in integrated circuits due to energy consumption and latency caused by the notable increase in Cu resistivity as dimensions decrease, primarily due to electron scattering at surfaces. Herein, the potential of a directional conductor, PtCoO 2 , which has a low bulk resistivity and a distinctive anisotropic structure that mitigates electron surface scattering is showcased. Thin films of PtCoO 2 of various thicknesses are synthesized by molecular beam epitaxy (MBE) coupled with a postdeposition annealing process and the superior quality of PtCoO 2 films is demonstrated by multiple characterization techniques. The thickness‐dependent resistivity curve illustrates that PtCoO 2 significantly outperforms effective Cu (Cu with TaN barriers) and Ru in resistivity below 20.0 nm with a more than 6x reduction compared to effective Cu below 6.0 nm, having a value of only 6.32 μΩ cm at 3.3 nm. It is determined that grain boundary scattering can still be improved for even lower resistivities in this material system through a combination of experiments and theoretical simulations. PtCoO 2 is therefore a highly promising alternative material for future interconnect technologies promising lower resistivities, better stability, and significant improvements in energy efficiency and latency for advanced integrated circuits.

Li, Yansong [Department of Electrical Engineering ↗

DOE OSTI2023

Energy Efficiency Improvement Approaches in Ice Related Processes

A detailed survey of ice mold and evaporator metal surfaces, physical structures, operational conditions, materials of construction, design of different equipment was reviewed and analyzed. A reliable test methodology was developed to measure the ice adhesion strength of different materials and geometries identified. The developed test setup was successfully employed in measuring the ice adhesion strength on both tubular and planar substrate geometries of metals including copper, aluminum, stainless steel. Application of advanced polymer materials in lowering the adhesion strength of ice was confirmed where the measured strength was lowered by 50-70% depending on the material and geometry. Additionally, utilization of induced ultrasonic vibration in further lowering the ice harvesting energy was confirmed on multiple materials and geometries. Durability of the coating enhancement was also confirmed in a thermal cycling test under realistic operating conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2020

High Performance Green LEDs for Solid State Lighting

The development of white LEDs for solid state lighting (SSL) has been driven in recent years by phosphor converted LEDs (pc-LEDs). However, losses (known as Stokes’ losses) between the blue pump LED and phosphor impose a fundamental efficiency limit of ~300 lm/W on pc-LEDs. White light can also be generated from color mixed LEDs (cm-LEDs), which employ red, green, blue, and amber LEDs and have a fundamental efficiency limit of ~400 lm/W. Efficient group III-nitride materials are used for the blue LED, while efficient group III-phosphide materials are used for the red LED component. Currently, the poor efficiency of green and amber LEDs (i.e. the “green gap”) is the primary limitation for cm-LEDs. Relative to nitride-based blue LEDs, green and amber nitride LEDs suffer from lower radiative recombination rates and higher nonradiative recombination rates, which ultimately lead to reduced internal quantum efficiency (IQE). The IQE represents the portion of all electron-hole recombination events that result in a photon. In addition, long-wavelength LEDs have lower electrical efficiency (EE) compared to their blue counterparts. Addressing the green gap, would ultimately enable cm-LEDs that rival or exceed the performance of pc-LEDs. Our project focused on III-nitride materials growth and characterization, device fabrication and testing, and semiconductor physics to understand efficiency limitations of green LEDs and develop solutions to these challenges. Insights gained during our research has led to novel long-wavelength LED designs which will enable efficient solid-state lighting.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2026

Toward Sustainable Lithium Recovery: A Universal Hydrothermal Approach for Lithium Extraction

The rapid growth of lithium-ion battery (LIB) deployment presents critical challenges in sustainable end-of-life management and raw material recovery. Conventional pyrometallurgical and hydrometallurgical methods suffer from high energy demand, lithium loss, and complex wastewater treatment. This study established a universal, highly efficient, and sustainable hydrothermal route for lithium extraction and material recovery from various spent lithium-ion battery cathodes using 1,2,4,5-benzenetetracarboxylic acid (BTCA). The optimized process achieved over 99% lithium leaching efficiency for lithium iron phosphate (LFP) and LiNi x Mn y Co 1–x–y O 2 (NMC), with transition metal coleaching below 1%. It was also broadly applicable to lithium manganese oxide, lithium cobalt oxide, and black mass, achieving 98.5%, 98.95%, and 94.06% leaching efficiencies, respectively. The extracted lithium was directly converted into battery-grade lithium sources, while transition metals were recovered as oxides. Unreacted BTCA was efficiently regenerated and reused without degradation. Electrochemical evaluation confirmed that cathode materials synthesized with recovered lithium exhibit comparable performance to commercial products. Compared to conventional hydrometallurgy, the BTCA-based process increased revenue by over 40% and reduced greenhouse gas emissions by up to 39%. This closed-loop, chemistry-agnostic strategy offered a scalable and economically viable solution for industrial LIB recycling, enabling resource circularity and reducing dependency on primary critical materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Tracking the Influence of Thermal Expansion and Oxygen Vacancies on the Thermal Stability of Ni-Rich Layered Cathode Materials

The ever-growing demand for high-energy lithium-ion batteries in portable electronics and electric vehicles has triggered intensive research efforts over the past decade. An efficient strategy to boost the energy and power density of lithium-ion batteries is to increase the Ni content in the cathode materials. However, a higher Ni content in the cathode materials gives rise to safety issues. Herein, thermal expansion and oxygen vacancies are proposed as new critical factors that affect the thermal stability of charged Ni-rich cathode materials based on a systematic synchrotron-based X-ray study of Li 0.33 Ni 0.5+x Co 0.2 Mn 0.3-x O 2 (x = 0, 0.1, 0.2) cathode materials during a heating process. Charged cathode materials with higher Ni contents show larger thermal expansion, which accelerates transition metal migration to the Li layers. Oxygen vacancies are formed and accumulate mainly around Ni ions until the layered-to-spinel phase transition begins. The oxygen vacancies also facilitate transition metal migration to the Li layers. Thermal expansion and the presence of oxygen vacancies decrease the energy barrier for cation migration and facilitate the phase transitions in charged cathode materials during the heating process. These results provide valuable guidance for developing new cathode materials with improved safety characteristics.

25 ENERGY STORAGE↗