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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Unlocking Metamaterials At The Macro Scale (CRADA Final Report)

This project was part of the Cyclotron Road program, which supports scientific entrepreneurs in their efforts to commercialize novel technologies with potential to address energy, manufacturing and climate related issues. The participants' technology is a lightweight cellular material system which could be applied to a range of products and markets and offer benefits of reduced weight, cost, waste, and carbon footprint. The objective of the project was to investigate potential opportunities and de-risk technical and market barriers in pursuit of successful commercialization. This project’s purpose was to find market pathways and technical roadmaps for commercializing the lightweight cellular material technology. The main problems to overcome are the risks in both tech and market. On the technical side, performance, weight, cost and speed of manufacturing, and other scaleup problems needed to be addressed. On the market side, the challenges included finding product/market fit, developing business models and go to market strategies, and developing commercial relationships within various industries. Our approach typically started with market analysis, in order to identify potential applications where our technology could solve problems and address pain points. To do this, we performed customer discovery, interviewing hundreds of industry stakeholders along all parts of the value chain for a given product or industry. From here, we would develop technoeconomic models which combined aspects of numerical modeling for structural and mechanical performance based on criteria from customers or industry guidelines such as stiffness, strength, weight, and other physical properties. Then, this would be combined with detailed cost models to translate the engineering solution into a manufacturable, scalable product. The challenge here was to have equal or better performance at lower cost and higher speed than existing solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fluoride-Catalyzed Siloxane Exchange as a Robust Dynamic Chemistry for High-Performance Vitrimers

Sustainable development of new technologies requires materials having advanced physical and chemical properties while maintaining reprocessability and recyclability. Vitrimers are designed for this purpose; however, their dynamic covalent chemistries often have drawbacks or are limited to specialized polymers. Here, fluoride-catalyzed siloxane exchange is reported as an exceptionally robust chemistry for scalable production of high-performance vitrimers through industrial processing of commodity polymers such as poly(methyl methacrylate), polyethylene, and polypropylene. The vitrimers show improved resistance to creep, heat, oxidation, and hydrolysis, while maintaining excellent melt flow for processing and recycling. Furthermore, the siloxane exchange between different vitrimers during mechanical blending results in self-compatibilized blends without any compatibilizers. In conclusion, this offers a general, scalable method for producing sustainable high-performance vitrimers and a new strategy for recycling mixed plastic wastes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Process design for calcination of nickel-based cathode materials by in situ characterization and multiscale modeling

Developing battery materials towards commercial use, from the early discovery through synthesis, processing, scaling up, and eventually to industrial production, may take decades. A notable example is Ni-based layered oxides, which were discovered as early as 1950s and intensively pursued as cathode active materials (CAMs) since the early 90s but have yet to realize their full commercial potential. Significant efforts have been devoted to materials development aiming at improving performance, far less to process development for large-scale synthesis and processing of CAMs. In this paper, we present a rational design of calcination for scalable production of Ni-based CAMs. We start with an overview of the current understanding and knowledge gaps hindering rational process design and scaling-up of the calcination process. Then with specific examples, we demonstrate how to tackle those fundamental challenges through in situ characterization and multiscale modeling. Finally, we conclude by providing perspectives on the remaining challenges and emerging opportunities in commercial development of Ni-based cathodes, calling for more endeavors in this field.

25 ENERGY STORAGE↗
DOE OSTI2024

Sustainable Production of Biomass‐Derived Graphite and Graphene Conductive Inks from Biochar

Abstract Graphite is a commonly used raw material across many industries and the demand for high‐quality graphite has been increasing in recent years, especially as a primary component for lithium‐ion batteries. However, graphite production is currently limited by production shortages, uneven geographical distribution, and significant environmental impacts incurred from conventional processing. Here, an efficient method of synthesizing biomass‐derived graphite from biochar is presented as a sustainable alternative to natural and synthetic graphite. The resulting bio‐graphite equals or exceeds quantitative quality metrics of spheroidized natural graphite, achieving a RamanI D /I G ratio of 0.051 and crystallite size parallel to the graphene layers (L a ) of 2.08 µm. This bio‐graphite is directly applied as a raw input to liquid‐phase exfoliation of graphene for the scalable production of conductive inks. The spin‐coated films from the bio‐graphene ink exhibit the highest conductivity among all biomass‐derived graphene or carbon materials, reaching 3.58 ± 0.16 × 10 4 S m −1 . Life cycle assessment demonstrates that this bio‐graphite requires less fossil fuel and produces reduced greenhouse gas emissions compared to incumbent methods for natural, synthesized, and other bio‐derived graphitic materials. This work thus offers a sustainable, locally adaptable solution for producing state‐of‐the‐art graphite that is suitable for bio‐graphene and other high‐value products.

Chemistry↗
DOE OSTI2020

1D to 2D Transition in Tellurium Observed by 4D Electron Microscopy

A new microwave-enhanced synthesis method for the production of tellurium nanostructures is reported here—with control over products from the 1D regime (sub-5 nm diameter nanowires), to nanoribbons, to the 2D tellurene regime—along with a new methodology for local statistical quantification of the crystallographic parameters of these materials at the nanometer scale. Using a direct electron detector and image-corrected microscope, large and robust 4D scanning transmission electron microscopy datasets for accurate structural analysis are obtained. These datasets allow the adaptation of quantitative techniques originally developed for X-ray diffraction (XRD) refinement analyses to transmission electron microscopy, enabling the first demonstration of sub-picometer accuracy lattice parameter extraction while also obtaining both the size of the coherent crystallite domains and the nanostrain, which is observed to decrease as nanowires transition to tellurene. This new local analysis is commensurate with global powder XRD results, indicating the robustness of both the new synthesis approach and new structural analysis methodology for future scalable production of 2D tellurene and characterization of nanomaterials.

2D materials↗
DOE OSTI2022

Engineering of a synthetic antibody fragment for structural and functional studies of K+ channels

Engineered antibody fragments (Fabs) have made major impacts on structural biology research, particularly to aid structural determination of membrane proteins. Nonetheless, Fabs generated by traditional monoclonal technology suffer from challenges of routine production and storage. Starting from the known IgG paratopes of an antibody that binds to the “turret loop” of the KcsA K+ channel, we engineered a synthetic Fab (sFab) based upon the highly stable Herceptin Fab scaffold, which can be recombinantly expressed in Escherichia coli and purified with single-step affinity chromatography. This synthetic Fab was used as a crystallization chaperone to obtain crystals of the KcsA channel that diffracted to a resolution comparable to that from the parent Fab. Furthermore, we show that the turret loop can be grafted into the unrelated voltage-gated Kv1.2–Kv2.1 channel and still strongly bind the engineered sFab, in support of the loop grafting strategy. Macroscopic electrophysiology recordings show that the sFab affects the activation and conductance of the chimeric voltage-gated channel. These results suggest that straightforward engineering of antibodies using recombinant formats can facilitate the rapid and scalable production of Fabs as structural biology tools and functional probes. The impact of this approach is expanded significantly based on the potential portability of the turret loop to a myriad of other K+ channels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Spontaneously supersaturated nucleation strategy for high reproducible and efficient perovskite solar cells

High-quality perovskite films are predominantly prepared by anti-solvent assisted spin-coating method. How- ever, small device size and narrow operation window limit their applications in practical and scalable production. Here, a spontaneously supersaturated nucleation strategy is developed to fabricate high-quality perovskite films without any antisolvents. The rapid precipitation behavior of the precursor solutions could be triggered by the volatilization of methylamine ethanol at the initial film formation stage, forming uniform and compact intermediate phase films. Mirror-like large area (10 cm × 10 cm) methylammonium lead triiodide (MAPbI 3 ) perovskite films with micrometer-sized grains can be achieved by phase transition via annealing. The average power conversion efficiency (PCE) of 19.4% is achieved for 0.1 cm 2 perovskite solar cells (PSCs). The 1 cm 2 device shows a PCE of 17.57% and retains 96.8% after aging for 39 days in the air with a relative humidity of 5–30%. The perovskite module based on the perovskite films prepared by our strategy exhibits a PCE of 13.13%. Here, the perovskite film fabrication method developed in this work shows high reproducibility of the fabrication process due to the spontaneous nucleation process. Meanwhile, it also exhibits significant potential in the application of scalable solution processing deposition techniques toward the commercialization of PSCs.

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

Perspectives of Open-Air Processing to Enable Perovskite Solar Cell Manufacturing

We report high throughput open-air processing techniques for the scalable production of all device and barrier layers for perovskite photovoltaics (PV). This work discusses and resolves some of the most formidable barriers to module-level scaling that the perovskite community has been facing. Our advanced technoeconomic manufacturing analysis indicates that vacuum-based processes with high capital expenditures (CapEx) and low throughputs dominate the cost of production. Open-air fabrication methods offer low CapEx routes to manufacturing, but achieving reproducibility in ambient conditions with varying relative humidity has been a persistent challenge. The use of rapid processing methods with plasma curing to convert films from the solution-state enables reproducibility, moisture immunity, and the highest perovskite PV efficiency produced in open-air. These methods are readily translatable to in-line processing where layers are sequentially deposited without the need for lengthy post-annealing steps that reduce throughput and involve additional equipment. Significant progress is demonstrated in reduced manufacturing costs as perovskites contend as a commercially viable next-generation thin film PV technology.

14 SOLAR ENERGY↗
DOE OSTI2024

Scalable Nanoimprint Manufacturing of Functional Multilayer Metasurface Devices

Optical metasurfaces, consisting of subwavelength-scale meta-atom arrays, hold great promise of overcoming the fundamental limitations of conventional optics. Due to their structural complexity, metasurfaces usually require high-resolution yet slow and expensive fabrication processes. Here, using a metasurface polarimetric imaging device as an example, the photonic structures and the Nanoimprint lithography (NIL) processes are designed, creating two separate NIL molds over a patterning area of > 20 mm2 with designed Moiré alignment markers by electron-beam writing, and further subsequently integrate silicon and aluminum metasurface structures on a chip. Uniquely, the silicon and aluminum metasurfaces are fabricated by using the nanolithography and 3D pattern-transfer capabilities of NIL, respectively, achieving nanometer-scale linewidth uniformity, sub-200 nm translational overlay accuracy, and <0.017 rotational alignment error while significantly reducing fabrication complexity and surface roughness. Here, the micro-sized multilayer metasurfaces have high circular polarization extinction ratios as large as ≈20 and ≈80 in blue and red wavelengths. Further, the metasurface chip-integrated CMOS imager demonstrates high accuracy in broad-band, full Stokes parameter analysis in the visible wavelength ranges and single-shot polarimetric imaging. This novel, NIL-based, multilayered nanomanufacturing approach is applicable to the scalable production of large-area functional structures for ultra-compact optic, electronic, and quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Electrostatic Superlattices Beyond 1:1 Stoichiometry

ABSTRACT Exotic nanoparticle superstructures can be accessed by harnessing nanoparticle softness and charge regulation, features often viewed as obstacles to structural control. Here, we show that regulated charge mismatch in polymer‐grafted nanoparticles enables the assembly of high‐stoichiometry cubic superlattices. By co‐tuning grafting density, particle size, and bulk composition, we realize ionic‐lattice analogues, such as and , as well as single‐component and superlattices without atomic counterparts. The superlattice has recently been identified theoretically as a photonic band‐gap lattice. These phases emerge from a 1:1 “parent” lattice when local charge neutrality cannot be satisfied, driving either progressive interstitial filling or reorganization into a larger basis. For instance, the systematic occupation of ZnS tetrahedral sites yields , while ligand‐swapping symmetry breaking converts CsCl into . Upon heating, the assemblies exhibit reversible lattice contraction and pronounced negative thermal expansion. Furthermore, the energetic penalty for defects increases with nanoparticle size, facilitating the scalable production of high‐quality, open superlattices for photonic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-Performance Piezo-Electrocatalytic Sensing of Ascorbic Acid with Nanostructured Wurtzite Zinc Oxide

We report nanostructured piezoelectric semiconductors offer unprecedented opportunities for high-performance sensing in numerous catalytic processes of biomedical, pharmaceutical, and agricultural interests, leveraging piezocatalysis that enhances the catalytic efficiency with the strain-induced piezoelectric field. Here, we design and demonstrate for the first time a cost-efficient, high-performance piezo-electrocatalytic sensor for detecting L-ascorbic acid (AA), a critical chemical for many organisms, metabolic processes, and medical treatments. We prepared ZnO nanorods and nanosheets to characterize and compare their efficacy for the piezo-electrocatalysis of AA. The electrocatalytic efficacy of AA was significantly boosted by the piezoelectric polarization induced in the nanostructured semiconducting ZnO catalysts. We elucidated the charge transfer between the strained ZnO nanostructures and AA to reveal the mechanism for the related piezo-electrocatalytic process. The low-temperature synthesis of high-quality ZnO nanostructures allows the low-cost, scalable production and integration directly into wearable electrocatalytic sensors whose performance could be boosted by otherwise wasted mechanical energy from the working environment, e.g., the human-generated mechanical signals.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Solution‐Processed CsPbBr 3 Quantum Dots/Organic Semiconductor Planar Heterojunctions for High‐Performance Photodetectors

Abstract Planar heterojunctions (PHJs) are fundamental building blocks for construction of semiconductor devices. However, fabricating PHJs with solution‐processable semiconductors such as organic semiconductors (OSCs) is a challenge. Herein, utilizing the orthogonal solubility and good wettability between CsPbBr 3 perovskite quantum dots (PQDs) and OSCs, fabrication of solution‐processed PQD/OSC PHJs are reported. The phototransistors based on bilayer PQD/PDVT‐10 PHJs show responsivity up to 1.64 × 10 4 A W −1 , specific detectivity of 3.17 × 10 12 Jones, and photosensitivity of 5.33 × 10 6 when illuminated by 450 nm light. Such high photodetection performance is attributed to efficient charge dissociation and transport, as well as the photogating effect in the PHJs. Furthermore, the tri‐layer PDVT‐10/PQD/Y6 PHJs are used to construct photodiodes working in self‐powered mode, which exhibit broad range photoresponse from ultraviolet to near‐infrared, with responsivity approaching 10 −1 A W −1 and detectivity over 10 6 Jones. These results present a convenient and scalable production processes for solution‐processed PHJs and show their great potential for optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Scalable, two–stage, autoinduction of recombinant protein expression in E. coli utilizing phosphate depletion

We report the scalable production of recombinant proteins in Escherichia coli, reliant on tightly controlled autoinduction, triggered by phosphate depletion in the stationary phase. The method, reliant on engineered strains and plasmids, enables improved protein expression across scales. Expression levels using this approach have reached as high as 55% of the total cellular protein. The initial use of the method in instrumented fed–batch fermentations enables cell densities of ~30 gCDW/L and protein titers up to 8.1 ± 0.7 g/L (~270 mg/gCDW). The process has also been adapted to an optimized autoinduction media, enabling routine batch production at culture volumes of 20 μl (384–well plates), 100 μl (96–well plates), 20 ml, and 100 ml. In batch cultures, cell densities routinely reach ~5–7 gCDW/L, offering protein titers above 2 g/L. Here, the methodology has been validated with a set of diverse heterologous proteins and is of general use for the facile optimization of routine protein expression from high throughput screens to fed–batch fermentation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Life cycle energy demand and carbon emissions of scalable single-junction and tandem perovskite PV

Perovskite photovoltaics reached record efficiencies in the laboratory and, if sustainably commercialized, they would accelerate a green energy transition. Here, this article presents the development of life-cycle inventory material and energy databases of most promising four single-junction and three tandem scalable perovskite systems with assumptions regarding scalable production validated by industry experts. We conducted comprehensive “ex ante” Life Cycle Analysis (LCA) and Net Energy Analysis, analyzing their cumulative energy demand, global warming potential profiles, energy payback times and energy return on investment (EROI). LCA contribution analysis elucidates the most impactful material and process choices. It shows that solution-based perovskite manufacturing would have lower environmental impact than vapor-based methods, and that roll-to-roll (RtR) printing offers the lowest impact. Among material choices, MoOx/Al has lower impact than Ag, and fluorine-tin-oxide lower than indium-tin-oxide. Furthermore, we compare perovskites with commercial crystalline-silicon and thin-film PV, accounting for the most recent developments in crystalline-Si wafer production and differences in life expectancies and efficiencies. It is shown that perovskite systems produced with RtR manufacturing could reach in only 12 years of life the same EROI as that of single-crystalline-Si PV lasting 30-years. This work lays a foundation for sustainability investigations of perovskite large-scale deployment.

14 SOLAR ENERGY↗
DOE OSTI2022

Mechanisms of Interface Cleaning in Heterostructures Made from Polymer‐Contaminated Graphene

Abstract Heterostructures obtained from layered assembly of 2D materials such as graphene and hexagonal boron nitride have potential in the development of new electronic devices. Whereas various materials techniques can now produce macroscopic scale graphene, the construction of similar size heterostructures with atomically clean interfaces is still unrealized. A primary barrier has been the inability to remove polymeric residues from the interfaces that arise between layers when fabricating heterostructures. Here, the interface cleaning problem of polymer‐contaminated heterostructures is experimentally studied from an energy viewpoint. With this approach, it is established that the interface cleaning mechanism involves a combination of thermally activated polymer residue mobilization and their mechanical actuation. This framework allows a systematic approach for fabricating record large‐area clean heterostructures from polymer‐contaminated graphene. These heterostructures provide state‐of‐the‐art electronic performance. This study opens new strategies for the scalable production of layered materials heterostructures.

Huang, Zhujun↗
DOE OSTI2023

Functional group effect of chemically modified microcrystalline methyl cellulose on thermoplastic polyurethane composites

Microcrystalline cellulose (MCC) is a promising bio-based filler for lightweight yet mechanically high-performance eco-polymer composites because of its low density and high biocompatibility. However, intermolecular hydrogen bonding among MCC is stronger than the polymer–filler interactions, which deteriorate the mechanical properties of the composites. Herein, we investigated the effects of functional groups on the mechanical properties of composites by scrutinizing chemically modified microcrystalline methyl cellulose (m-MMC) with three different substitution levels of hydroxyl group to hydroxypropyl (HP) group: no-, low-, and high-level substitution (HP-0, HP-low, and HP-high). The degree of HP substitution of m-MMC was quantitatively measured by CP/MAS NMR analysis. The relatively bulky HP groups interrupted the filler–filler intermolecular interactions and reduced the crystallinity and density of m-MMC, as evident from X-ray diffractometer and pycnometer data, respectively. For scalable production of the composites, the m-MMC were compounded with thermoplastic polyurethane (TPU) by a twin-screw extruder at concentrations between 0.5 and 10 wt%. Despite its low filler concentration, the toughness of m-MMC/TPU composites was remarkably enhanced, up to 28% (229.2 to 294.4 MJ/m 3 ) at 0.5 wt% loading of HP-low, owing to the enhanced polymer–filler interactions. In conclusion, the fundamental understanding on structure–property relationships will provide insights for designing of mechanically robust yet eco-friendly polymer composites.

composites↗
DOE OSTI2021

Development of a cell surface display system in Chlamydomonas reinhardtii

Cell-surface display systems are biotechnological techniques used to express heterologous proteins on the cell surface. Their application depends directly on the cell system used, as well as on the anchoring point for the surface displayed protein. To meet most application demands an inexpensive, safe, and scalable production platform, that reduces the economic barriers for large scale use is needed. Toward this goal, we screened three possible cell surface anchoring points in the green algae Chlamydomonas by fusing mVenus to prospective anchors moieties. The vectors harboring mVenus:anchor were screened for mVenus fluorescence and tested for cellular localization by confocal laser scanning microscopy. This strategy allowed the identification of two functional anchors, one for the cytoplasmic membrane using the MAW8 GPI-anchor signal, and one for the cell wall using the GP1 protein. We also exploited GP1 chemical and biological traits to release the fused proteins efficiently during cell wall shedding. Our work provides a foundation for surface engineering of C reinhardtii supporting both cell biology studies and biotechnology applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Automated processing of environmental transmission electron microscopy images for quantification of thin film dewetting and carbon nanotube nucleation dynamics

We report scalable production of carbon nanotubes (CNTs) requires catalysts and reaction conditions that provide high nucleation efficiency. In situ characterization methods such as environmental transmission electron microscopy (ETEM) can reveal fundamental mechanisms of synthesis, but to date have primarily provided qualitative observations on small sample sizes. Here, quantitative analysis is performed using high-resolution, high-rate video capture of ETEM experimentation coupled with automated image processing, involving computer vision algorithms and convolutional neural networks. By this approach, we detect distinct nanoparticle formation from an alumina-supported iron thin film and subsequent CNT nucleation from the nanoparticles. The statistical summary of particles in each video shows that, compared to a H 2 -only atmosphere, pretreatment of the catalyst with carbon added to the H 2 atmosphere results in a smaller average particle diameter, a 2-fold increase in particle density (to 5300 particles/μm 2 ), a 3-fold increase in CNT nucleation efficiency (to 92%), and more than a 5-fold increase in CNT density (to 4800/μm 2 ). Addition of carbon during exposure to H 2 is also more effective than NH 3 at dewetting the catalyst film and increasing the CNT nucleation efficiency, in spite of NH 3 being a stronger reducing agent for iron. Insights from this study are applicable to improving CNT yield and productivity in both batch-style and continuous processes.

25 ENERGY STORAGE↗