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At least 217 records · Page 12

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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 OSTI2026

Acetate-based biological platforms: Bridging carbon dioxide utilization and high-value bioproduct production in oleaginous yeasts

Acetate is emerging as a promising two-carbon substrate in the circular bioeconomy, bridging the gap between single-carbon sources and high-value biofuels and bioproducts. This review examines the key pathways for acetate production, including the electrochemical reduction of carbon dioxide, syngas fermentation, and biological acetogenesis. It focuses on acetate metabolism in oleaginous yeasts, such as Yarrowia lipolytica and Rhodotorula toruloides, which efficiently convert acetate-derived acetyl-CoA units into diverse bioproducts such as lipids, fatty alcohols, triacetic acid lactone, and carotenoids. Recent advances in metabolic engineering, transcriptomics, and metabolic flux analysis have improved the understanding of acetate assimilation in these organisms, thereby increasing their potential for industrial applications. In addition, the feasibility of a biological gas-to-liquid platform that utilizes acetate as a central intermediate for scalable biomanufacturing is discussed. Integrating acetate utilization with sustainable production strategies offers a promising path to advance the bio-based economy. Using acetate as a versatile metabolic intermediate enables the conversion of industrial emissions into biofuels and bioproducts while avoiding the energetic and toxicity constraints associated with direct fermentation of gaseous substrates.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Engineering the Novel Extremophile Alga Chlamydomonas pacifica for High Lipid and High Starch Production as a Path to Developing Commercially Relevant Strains

Microalgae offer a compelling platform for the production of commodity products, due to their superior photosynthetic efficiency, adaptability to nonarable lands and nonpotable water, and their capacity to produce a versatile array of bioproducts, including biofuels and biomaterials. However, the scalability of microalgae as a bioresource has been hindered by challenges such as costly biomass production related to vulnerability to pond crashes during large-scale cultivation. This study presents a pipeline for the genetic engineering and pilot-scale production of biodiesel and thermoplastic polyurethane precursors in the extremophile species Chlamydomonas pacifica. This extremophile microalga exhibits exceptional resilience to high pH (>11.5), high salinity (up to 2% NaCl), and elevated temperatures (up to 42 °C). Initially, we evolved this strain to also have a high tolerance to high light intensity (>2000 μE/m 2 /s) through mutagenesis, breeding, and selection. We subsequently genetically engineered C. pacifica to significantly enhance lipid production by 28% and starch accumulation by 27%, all without affecting its growth rate. We demonstrated the scalability of these engineered strains by cultivating them in pilot-scale raceway ponds and converting the resulting biomass into biodiesel and thermoplastic polyurethanes. This study showcases the complete cycle of transforming a newly discovered species into a commercially relevant commodity production strain. This research underscores the potential of extremophile algae, including C. pacifica, as a key species for the burgeoning sustainable bioeconomy, offering a viable path forward in mitigating environmental challenges and supporting global bioproduct demands.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Scalable Synthesis of Ti 3 C 2 T x MXene

Scaling the production of synthetic 2D materials to industrial quantities has faced significant challenges due to synthesis bottlenecks whereby few have been produced in large volumes. These challenges typically stem from bottom‐up approaches limiting the production to the substrate size or precursor availability for chemical synthesis and/or exfoliation. In contrast, MXenes, a large class of 2D transition metal carbides and/or nitrides, are produced via a top‐down synthesis approach. The selective wet etching process does not have similar synthesis constraints as some other 2D materials. The reaction occurs in the whole volume; therefore, the process can be readily scaled with reactor volume. Herein, the synthesis of 2D titanium carbide MXene (Ti 3 C 2 T x ) is studied in two batch sizes, 1 and 50 g, to determine if large‐volume synthesis affects the resultant structure or composition of MXene flakes. Characterization of the morphology and properties of the produced MXene using scanning electron microscopy, X‐ray diffraction, dynamic light scattering, Raman spectroscopy, X‐ray photoelectron spectroscopy, UV–visible spectroscopy, and conductivity measurements show that the materials produced in both batch sizes are essentially identical. This illustrates that MXenes experience no change in structure or properties when scaling synthesis, making them viable for further scale‐up and commercialization.

Shuck, Christopher E.↗

DOE OSTI2023

Coupling Waste Feedstocks to Microbial Protein for a Circular Food System

The global food system is responsible for approximately 34% of annual greenhouse gas (GHG) emissions and up to 85% of water consumption. This critical sector suffers from intensive and inefficient land and water use, the generation of multiple (solid, liquid, and gaseous) waste streams, and high fuel, fertilizer, and pesticide consumption. The production of waste-derived microbial protein (MP) represents a promising alternative for reducing the environmental impacts of protein production relative to conventional agriculture. MP can be mass-produced in volumetrically scalable cultivation processes on short timescales, enabling facile up-scaling with lower greenhouse gas emissions, land use, and water impacts than animal and, in some cases, plant protein production. MP can also be produced from waste feedstocks, diverting waste from landfills or the natural environment. Here, we present the availability and suitability of waste feedstocks for MP production, as well as the fermentation and downstream processes required to convert MP into human food products. We discuss the challenges and opportunities facing waste-derived bacterial MP and highlight key areas for innovation in both the microbiology and process design space for a more sustainable and circular food system.

BASIC BIOLOGICAL SCIENCES,ENERGY PLANNING, POLICY,↗

DOE OSTI2021

Oxygen Vacancies Enriched Bi Based Catalysts for Enhancing Electrocatalytic CO2 Reduction to Formate

The practical application of CO2 conversion through electrochemical reduction is still hindered by the lack of high performance and cost-effective catalysts. It is thus imperative to explore feasible strategies for scalable fabrication of catalysts for CO2 reduction to targeting products with high efficiency. Herein, for the first time, a hybrid of BiOx encapsulated in carbon thin layer is developed as high active electrocatalyst for CO2 conversion, which is synthesized by pyrolysis using Bi MOF as precursor and sacrificial template. The carbon layer overcoating BiOx catalyst exhibits superior performance for CO2 reduction to formate, achieving a maximum Faradaic efficiency of 89.3 % and a maximum current density of 37.8 mA cm-2. It is found that the as-prepared BiOx catalyst is enriched with oxygen vacancies stabilized by the encapsulating carbon layer. Both the carbon layer and oxygen vacancies improve the charge transfer of the catalyst, in favor of the high formate current density. The defects of oxygen vacancies play a vital role in CO2 adsorption and activation and thereby further enhancing the electrocatalytic ability for formate production.

oxygen vacancy, bismuth, carbon coating, CO2 elect↗

DOE OSTI2024

Dehydrogenated Polyethylene from Discarded Plastics as a Synthon for Functional Polyolefins

Many valuable specialty chemicals and drug candidates rely on synthesizing reactive intermediates to generate the final product(s). An approach that leverages C-H activation chemistry to achieve chemically active reactive handles for polymer diversification is desirable. Further, this report describes the synthesis and functionalization of dehydrogenated high-density polyethylene (HDPE) from discarded post-consumer plastic via acceptorless Ir-pincer-catalyzed non-oxidative dehydrogenation followed by acid-catalyzed hydroamination and hydroalkoxylation. The final products show significant material property changes with tunability and scalability through variation of the olefin content. This method highlights the potential value of dehydrogenated intermediates as platforms to enable carbon circularity and polyolefin end-of-life management strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Vexcel Imaging's Suitability for Automatic Verification

Accurate, independently verified geospatial data is essential for automated calibration, validation, and operational decision-making. This study evaluated the positional accuracy of Vexcel Imaging™’s UltraCam® Osprey imagery (7.5 cm GSD) using globally distributed Continuously Operating Reference Stations (CORS) as independent control. Despite manufacturer claims of 15 cm horizontal accuracy, residual errors were consistently one to two orders of magnitude larger, with no subset of imagery meeting precision thresholds. These discrepancies cannot be explained by normal photogrammetric or environmental factors and raise concerns about the reliability of the imagery for high-precision tasks. The results demonstrate that Vexcel imagery, in its current form, is unsuitable for workflows requiring rigorous spatial accuracy or automated verification. At the same time, the reproducible validation framework developed in this study establishes a scalable method for assessing commercial imagery, ensuring that future products can be independently and objectively verified before operational adoption.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Process Engineering to Increase the Layered Phase Concentration in the Immediate Products of Flame Spray Pyrolysis

Flame-spray-pyrolysis (FSP) is a robust and scalable process to synthesize particles at the commodity-scale. FSP has been used to produce the precursor powders which were converted to the layered structure $(R\bar{3m} \text { phase})$ by a postannealing step in making nickel-rich cathode materials (NCMs). Theoretically, the high flame temperature (normally >1500 K) in FSP can provide adequate energy for the phase conversion from rock-salt to layered structures and potentially enables one-step synthesis. However, the high flame temperature is a critical issue to cause lithium loss and structural degradation, preventing the formation of the layered phase. Here, guided by the gaseous nucleation theory, we implemented several FSP processes with different solution recipes. The layered phase concentration in the as-burned products can be increased with the solution enthalpies. By adding a rapid quench step to suppress the lithium loss and phase degradation, the layered phase can be further increased. This work contributes new ideas to innovating process regarding the process efficiency and throughput of manufacturing cathode materials at a large scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Depolymerization of polyesters by a binuclear catalyst for plastic recycling

Plastics play an essential role in modern society, however, the relentless growth of their production is threatening both human health and ecosystems. As a result, there are intensive efforts in developing recycling technologies to repurpose waste plastics into the building blocks for valuable materials. Here we show a binuclear complex that can catalyze the degradation of polyethylene terephthalate (PET)-the most widely used polyester globally-and a wide spectrum of other plastics including polylactic acid (PLA), polybutylene adipate terephthalate (PBAT), polycaprolactone (PCL), polyurethane (PU) and Nylon 66. Inspired by hydrolases, the group of enzymes that catalyze bond cleavages with water, the present catalyst design features biomimetic Zn-Zn sites which activate the plastic, stabilize the key intermediate, and enable intramolecular hydrolysis. This synthetic catalyst delivers activities of 36 mg PET d -1 g catal -1 toward PET depolymerization at pH 8 and 40 oC, and of 577 g PET d -1 g catal -1 at pH 13 and 90 oC for scalable PET recycling. We further demonstrate the closed-loop production of a bottle-grade PET. This work presents a practical and viable solution to the sustainable management of plastics waste.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Versatile acid solvents for pristine carbon nanotube assembly

Chlorosulfonic acid and oleum are ideal solvents for enabling the transformation of disordered carbon nanotubes (CNTs) into precise and highly functional morphologies. Currently, processing these solvents using extrusion techniques presents complications due to chemical compatibility, which constrain equipment and substrate material options. Here, we present a novel acid solvent system based on methanesulfonic or p-toluenesulfonic acids with low corrosivity, which form true solutions of CNTs at concentrations as high as 10 g/liter (≈0.7 volume %). The versatility of this solvent system is demonstrated by drop-in application to conventional manufacturing processes such as slot die coating, solution spinning continuous fibers, and 3D printing aerogels. Through continuous slot coating, we achieve state-of-the-art optoelectronic performance (83.6 %T and 14 ohm/sq) at industrially relevant production speeds. This work establishes practical and efficient means for scalable processing of CNT into advanced materials with properties suitable for a wide range of applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Resourceful and economical designing of fermentation medium for lab and commercial strains of yeast from alternative feedstock: ‘transgenic oilcane’

Sugarcane plant engineered to accumulate lipids in its vegetative tissue is being developed as a new bioenergy crop. The new crop would be a source of juice, oil, and cellulosic sugars. However, limited tolerance of industrially recognized yeasts towards inhibitors generated during the processing of lignocellulosic biomass to produce fermentable sugars is a major challenge in developing scalable processes for second-generation drop-in fuel production. To this end, hydrolysates generated from engineered sugarcane—‘oilcane’ bagasse contain added phenolics and fatty acids that further restrict the growth of fermenting microorganisms and necessitate nutrient supplementation and/or detoxification of hydrolysate which makes the fermentation process expensive. Herein, we propose a resourceful and economical approach for growing lab and commercial strains of S. cerevisiae on unrefined cellulosic sugars aerobically and fermentatively.

09 BIOMASS FUELS↗

DOE OSTI2023

Substrate-embedded metal meshes for ITO-free organic light emitting diodes

Organic light-emitting diodes (OLEDs) have great potential for use in large-area display and lighting applications, but their widespread adoption for large areas is hindered by the high cost and insufficient performance of indium tin oxide (ITO) anodes. In this study, we introduce an alternative anode material – a silver mesh embedded in glass – to facilitate production of large-area OLEDs. We present a facile, scalable manufacturing technique to create high aspect ratio micromeshes embedded in glass to provide the planar geometry needed for OLED layers. Our phosphorescent green OLEDs achieve a current efficiency of 51.4 cd/A at 1000 cd/m 2 and reach a slightly higher external quantum efficiency compared to a standard ITO/glass reference sample. Notably, these advancements are achieved without any impact on the viewing angle of the OLEDs. These findings represent a promising advancement towards ITO-free, high-efficiency OLEDs for various high performance, large-area applications, such as lighting and displays.

Optics↗

DOE OSTI2023

Dataset Repository for Investigating Suicide Risk Using Social and Environmental Determinants of Health

Suicide is frequently modeled as a function of genetics and environment, where the latter refers to factors other than direct biological consequences, such as air quality, financial level, social connectivity, transportation and food access, and homelessness status. According to the World Health Organization, clean air, a stable climate, adequate water, sanitation and hygiene, safe chemical use, radiation protection, healthy and safe workplaces, sound agricultural practices, health-supportive cities and built environments, and a preserved natural environment are all prerequisites for good health. Understanding the relationships between these determinants and mental health outcomes requires standardized data that can be included in healthcare programs and health outcome models. There is a wealth of publicly available data on social and environmental factors provided by various US organizations that can benefit the design of health care systems and public health interventions, as well as improve our comprehension of factors that impact health. Such information would not only help improve the understanding of individual and community risk but also identify new risk factors that have not previously been therapeutically targeted, especially in terms of their impact on mental health. However, curating and standardizing such datasets is challenging because they are often recorded at numerous geographical and temporal resolutions and with varying spatial and temporal granularities. To address this challenge, we launched an endeavor in conjunction with the Veterans Health Administration to collect publicly available socioeconomic and environmental determinants of health statistics in the US. In this manuscript, we describe a social and environmental determinants of health (SEDH) datasets repository, data curation documentation, and a pipeline framework for data generation; This effort started in 2020, when we began constructing a scalable pipeline to automate the download, extraction, preparation, analysis, and production of datasets. These datasets have been made available to the VHA and may be shared upon agreement with collaborating organizations.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Electrocatalytic Oxidation of Ammonia for Energy Conversion and Storage (Final Report)

Ammonia is one of the most promising candidates to be a major renewable fuel. Ammonia is synthesized from H 2 and N 2 , which is the most abundant gas in the Earth’s atmosphere, using the Haber-Bosch (HB) process in the largest scale production of a chemical commodity. Using H 2 generated from renewable resources would result in a scalable, carbon-free, high energy density liquid fuel. The HB reaction is almost thermoneutral, which means hydrogen’s intrinsic energy is largely retained in the ammonia product, making NH 3 possibly the best candidate for storing and transporting H 2 . The conversion of NH 3 to energy has received very little attention, however. As part of this project we demonstrated the first example of a well-defined complex capable of driving electrocatalytic ammonia oxidation to N 2 , protons and electrons. We further thoroughly investigated the mechanistic underpinnings of the electrocatalytic reactions. We have also developed new chemistry to synthesize transition metal complexes aimed at increasing the efficiency and activity of electrocatalysts for the conversion of NH 3 to H 2 and N 2 at ambient temperatures.

08 HYDROGEN↗

DOE OSTI2021

Techno-economic analysis of roll-to-roll production of perovskite modules using radiation thermal processes

Perovskite solar technology can produce economically viable photovoltaic devices due to low cost of materials and scalable manufacturing. Solution phase deposition of all active layers lends itself to roll-to-roll fabrication methods which are well-established and have production rates of several hundred square meters per minute. In this techno-economic analysis, the opportunity to scale at this production throughput is considered with manufacturing rates exceeding one gigawatt per year in a single plant. Intense pulsed light is used for the post deposition process to minimize costs associated with the footprint, equipment, and operation. The analysis is limited to the operation of a roll-to-roll manufacturing facility producing a perovskite solar film that can be incorporated into photovoltaic modules. Costs associated with materials, labor, and equipment are considered along with utilities determined from the fundamental engineering calculations. Furthermore, the results show that at very large-scale operations of several gigawatts, the costs to produce the solar films range between $0.04-$0.10 per watt.

14 SOLAR ENERGY↗

DOE OSTI2025

Integration of hydrophobic gas diffusion layers for zero-gap electrolyzers to enable highly energy-efficient CO 2 electrolysis to C 2 products

Electrochemical CO 2 reduction (eCO2R) is an attractive route for mitigating global CO 2 emissions while producing value-added chemicals. Ethylene is one product of eCO2R and is an essential industrial precursor with a global market of $230 billion. The large-scale implementation of C 2 H 4 -selective CO 2 electrolyzers remains challenging because of low energy efficiencies. In this work, we develop the design principles necessary for incorporating an expanded polytetrafluoroethylene (ePTFE) electrode into a zero-gap electrolyzer while simultaneously developing an integrated electrical front contact that reduces the ohmic resistances inherent to electrically insulating gas diffusion layers. By co-designing the catalyst layer, gas diffusion medium, and operating conditions for a zero-gap ePTFE gas diffusion electrode (GDE), we achieved a full-cell voltage of 2.5 V at 200 mA cm −2 at 25 cm 2 geometric area cell with Faradaic efficiencies of 48% for ethylene and 40% for ethanol. This work highlights strategies for developing a scalable, stable, and highly energy-efficient eCO2R for C 2 products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

CGSim: A Simulation Framework for Large Scale Distributed Computing Environment

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies. However, existing simulators suffer from limited scalability, hardwired algorithms, lack of real-time monitoring, and inability to generate datasets suitable for modern machine learning approaches. We present CGSim, a simulation framework for large-scale distributed computing environments that addresses these limitations. Built upon the validated SimGrid simulation framework, CGSim provides high-level abstractions for modeling heterogeneous grid environments while maintaining accuracy and scalability. Key features include a modular plugin mechanism for testing custom workflow scheduling and data movement policies, interactive real-time visualization dashboards, and automatic generation of event-level datasets suitable for AI-assisted performance modeling. We demonstrate CGSim’s capabilities through a comprehensive evaluation using production ATLAS PanDA workloads, showing significant calibration accuracy improvements across WLCG computing sites. Scalability experiments show near-linear scaling for multi-site simulations, with distributed workloads achieving 6 × better performance compared to single-site execution. The framework enables researchers to simulate WLCG-scale infrastructures with hundreds of sites and thousands of concurrent jobs within practical time budget constraints on commodity hardware.

Vatsavai, Sairam Sri [Brookhaven National Laborato↗