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At least 253 records · Page 14

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Self-Driving Laboratory for Polymer Electronics

Owing to the chemical pluripotency and viscoelastic nature of electronic polymers, polymer electronics have shown unique advances in many emerging applications such as skin-like electronics, large-area printed energy devices, and neuromorphic computing devices, but their development period is years-long. Recent advancements in automation, robotics, and learning algorithms have led to a growing number of self-driving (autonomous) laboratories that have begun to revolutionize the development and accelerated discovery of materials. In this perspective, we first introduce the current state of autonomous laboratories. Then we analyze why it is challenging to conduct polymer electronics research by an autonomous laboratory and highlight the needs. Here, we further discuss our efforts in building an autonomous laboratory, namely Polybot, for the automated synthesis and characterization of electronic polymers and their processing and fabrication into electronic devices. Finally, we share our vision in using a self-driving laboratory for different types of polymer electronics research.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Thermal characteristics of Lithium-ion batteries

Lithium-ion batteries have a very promising future for space applications. Currently they are being used on a few GEO satellites, and were used on the two recent Mars rovers Spirit and Opportunity. There are still problem that exist that need to be addressed before these batteries can fully take flight. One of the problems is that the cycle life of these batteries needs to be increased. battery. Research is being focused on the chemistry of the materials inside the battery. This includes the anode, cathode, and the cell electrolyte solution. These components can undergo unwanted chemical reactions inside the cell that deteriorate the materials of the battery. During discharge/ charge cycles there is heat dissipated in the cell, and the battery heats up and its temperature increases. An increase in temperature can speed up any unwanted reactions in the cell. Exothermic reactions cause the temperature to increase; therefore increasing the reaction rate will cause the increase of the temperature inside the cell to occur at a faster rate. If the temperature gets too high thermal runaway will occur, and the cell can explode. The material that separates the electrode from the electrolyte is a non-conducting polymer. At high temperatures the separator will melt and the battery will be destroyed. The separator also contains small pores that allow lithium ions to diffuse through during charge and discharge. High temperatures can cause these pores to close up, permanently damaging the cell. My job at NASA Glenn research center this summer will be to perform thermal characterization tests on an 18650 type lithium-ion battery. High temperatures cause the chemicals inside lithium ion batteries to spontaneously react with each other. My task is to conduct experiments to determine the temperature that the reaction takes place at, what components in the cell are reacting and the mechanism of the reaction. The experiments will be conducted using an accelerating rate calorimeter (ARC), which uses a heat-wait-search mode until an exothermic reaction is detected. After an exotherm is found the calorimeter maintains an adiabatic environment around a bomb which holds the test sample. The ARC will help identify important reactions and what temperature these exothermic reactions take place at. In order fully understand the battery, we are first going to take apart the battery and test the individual components of the battery using the ARC. I will first conduct a test on the electrolyte solution by itself. We will then test the electrolyte solution with the anode. We would like to see how the electrolyte solution reacts with the anode and its binder material. The next would be the same test using the cathode instead of the anode. By comparing the results of the electrolyte, electrolyte with anode, and the electrolyte with the cathode we can determine the reactions that are taking place due to each component. Using the heat capacity of the each individual sample and the temperature by which the sample increases, kinetic and thermo-dynamical information can then be found. A Gas chromatograph could be used to help with the task of identifying the by-products at the end of each test. One way of increasing the cycle life is to increase the stability of the materials inside the

Hauser, Dan↗

DOE OSTI2021

Evaluation of the rheological and electrical percolation of high‐density polyethylene/carbon black composites using mathematical models

Abstract In this work, conductive polymer composites (CPCs) of bio‐based polyethylene (BioPe) containing different concentrations of carbon black (CB) were developed. By using oscillatory rheology analysis, a Newtonian plateau was observed in BioPe, and all BioPe/CB composites had a behavior of a pseudo‐solid and that composites with volume fractions ranging from 0.24 to 0.56 presented higher viscosity, storage, and loss modulus. This suggests the formation of a percolated network and by using the power‐law models, it was observed that the electrical percolation threshold was higher than the rheological percolation threshold. The electrical conductivity was measured using the four‐point probe method and a sigmoid model was used to predict the CPCs' electrical conductivity percolation threshold. The results indicated that the four‐point probe method presented satisfactory results according to the calculated standard deviations and voltage–current characteristics for each round of measurements considering the same ranging as used in rheology analysis. The analytical model used showed a coefficient of determination ( R 2 ) higher than 95%, allowing the prediction of the electrical conductivity of the CPC and the percolation threshold as a function of the volumetric fraction of the CB.

da SiIva, Moacy P.↗

DOE OSTI2024

Direct electron beam patterning of electro-optically active PEDOT:PSS

The optical and electronic tunability of the conductive polymer poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) has enabled emerging applications as diverse as bioelectronics, flexible electronics, and micro- and nano-photonics. High-resolution spatial patterning of PEDOT:PSS opens up opportunities for novel active devices in a range of fields. However, typical lithographic processes require tedious indirect patterning and dry etch processes, while solution-processing methods such as ink-jet printing have limited spatial resolution. Here, we report a method for direct write nano-patterning of commercially available PEDOT:PSS through electron-beam induced solubility modulation. The written structures are water stable and maintain the conductivity as well as electrochemical and optical properties of PEDOT:PSS, highlighting the broad utility of our method. We demonstrate the potential of our strategy by preparing prototypical nano-wire structures with feature sizes down to 250 nm, an order of magnitude finer than previously reported direct write methods, opening the possibility of writing chip-scale microelectronic and optical devices. We finally use the high-resolution writing capabilities to fabricate electrically-switchable optical diffraction gratings. We show active switching in this archetypal system with >95 % contrast at CMOS-compatible voltages of +2 V and -3 V, offering a route towards highly-miniaturized dynamic optoelectronic devices.

42 ENGINEERING↗

DOE OSTI2021

Effect of Polymer Topology on Microstructure, Segmental Dynamics, and Ionic Conductivity in PEO/PMMA-Based Solid Polymer Electrolytes

We report Poly(ethylene oxide) (PEO)-based solid polymer electrolytes (SPEs) have attracted much interest due to their high ionic conductivity resulting from inherently fast segmental dynamics and high salt solubility, yet they lack mechanical stability in their neat form. Blending PEO with another rigid, or high glass transition temperature, polymer is a versatile way to improve the mechanical stability; however, the ionic conductivity is strongly reduced due to slower segmental dynamics of highly interpenetrating linear polymer chains. In this work, we used model PEO/PMMA blend systems prepared with various well-defined PEO architectures (linear, stars, hyperbranched, and bottlebrushes) doped with lithium bis(trifluoromethane-sulfonyl)-imide (LiTFSI) and investigated, for the first time, the role of macromolecular architecture of PEO on crystallization, segmental dynamics, and ionic conductivity in the blends and electrolytes. The results suggest that room-temperature miscibility of these polymers can be dramatically extended by using nonlinear PEO in the blends instead of linear chains, which crystallize above 35 wt %. The broadband dielectric spectroscopy results revealed enhanced decoupling of PMMA and PEO segmental dynamics in compact branched architectures, which helps to achieve faster segmental motion of star PEO in glassy PMMA. This manifests as nearly three-fold higher ionic conductivity in these nonlinear blends compared to the conventional linear PEO/PMMA system. Regardless of the PEO architectures, the temperature dependence of ionic conductivity blends with PMMA and LiTFSI is well defined using the Vogel–Fulcher–Tammann mechanism, suggesting that ion transport is mainly affected by the segmental motion. The activation energy values decrease with the increasing ionic conductivity. Overall, our results show that macromolecular architecture can be a tool to decouple segmental dynamics and ion mobility to rationally design SPEs with improved performance.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Recent Progress in Transparent Conductive Materials for Photovoltaics

Transparent conducting materials (TCMs) are essential components for a variety of optoelectronic devices, such as photovoltaics, displays and touch screens. In recent years, extensive efforts have been made to develop TCMs with both high electrical conductivity and optical transmittance. Based on material types, they can be mainly categorized into the following classes: metal oxides, metal nanowire networks, carbon-material-based TCMs (graphene and carbon nanotube networks) and conjugated conductive polymers (PEDOT:PSS). This review will discuss the fundamental electrical and optical properties, typical fabrication methods and the applications in solar cells for each class of TCMs and highlight the current challenges and potential future research directions.

14 SOLAR ENERGY↗

DOE OSTI2025

Visualizing energy transfer between redox-active colloids

Redox-active colloids (RACs) represent a novel class of energy carriers that exchange electrical energy upon contact. Understanding contact-mediated electron transfer dynamics in RACs offers insights into physical contact events in colloidal suspensions and enables quantification of electrical energy transport in nonconjugated polymers. Redox-based electron transport was directly observed in monolayers of micron-sized RACs containing ethyl-viologen side groups via fluorescence microscopy through an unexpected nonlinear electrofluorochromism that is quantitatively coupled to the redox state of the colloid. Via imaging studies, using this electrofluorochromism, the apparent charge transfer diffusion coefficient D CT of the RAC was easily determined. The visualization of energy transport within suspensions of redox-active colloids was also demonstrated. Our work elucidates fundamental mechanisms of energy transport in colloidal systems, informs the development of next-generation redox flow batteries, and may inspire new designs of smart active soft matter including conductive polymers for applications ranging from electrochemical sensors and organic electronics to colloidal robotics.

Qu, Alan Subing [Univ. of Illinois at Urbana-Champ↗

DOE OSTI2025

High‐Performance Low‐Emissivity Paints Enabled by N‐Doped Poly(benzodifurandione) (n‐PBDF) for Energy‐Efficient Buildings

Abstract Low‐emissivity (low‐e) paints reduce radiative heat exchange between buildings and the environment, stabilizing indoor climates and lowering air conditioning demand. However, low‐cost, durable, and colored low‐e paints have yet to be demonstrated. Here, an approach is proposed using n‐doped poly(benzodifurandione) (n‐PBDF), a transparent organic conducting polymer, coated over colored commercial paints. This achieves a low thermal emissivity of 0.19 in the mid‐infrared spectrum, attributed to the efficient charge transport of delocalized π‐electrons in n‐PBDF structure. The reduction in thermal emissivity aids in regulating building temperatures by minimizing heat transfer between buildings and their surroundings across diverse climate zones and seasons. The n‐PBDF coating preserves the underlying paint's color due to its high visible transparency, meeting aesthetic requirements. It also shows strong stability in accelerated indoor weathering tests, ensuring long‐term performance. Simulations estimate annual HVAC energy savings of over 10,800 kWh in San Francisco and 5,500 kWh in Chicago for the typical mid‐rise apartments. The paint's versatility, scalability, and durability make it suitable for buildings, vehicles, and greenhouses, aiding urban heat island mitigation.

Liu, Xiaojie [School of Mechanical Engineering and↗

DOE OSTI2024

Autonomous Output‐Oriented Aerosol Jet Printing Enabled by Hybrid Machine Learning

Additive manufacturing (AM) is rapidly revolutionizing modern manufacturing with recent progress in advanced printing methods and improved properties of printed materials. However, traditional AM methods are limited by their input‐oriented nature, which demands tedious trial‐and‐error tuning of printing parameters to achieve desired output properties. Here, in this work, an output‐oriented artificial intelligence‐integrated AM (AIAM) method is reported that enables an user to specify desired output properties while the printer autonomously discovers the optimal input printing parameters by integrating hybrid machine learning models and in situ measurements. Based on a predictive mapping between the input printing parameters and the output properties of interests established with <20 experiments designed by active learning, inverse design tasks are performed to intelligently generate the printing parameter settings that lead to desired outcomes using reinforcement learning. This method is demonstrated by autonomous aerosol jet printing (AJP) of conductive polymer films and achieving user‐defined electrical resistances with an ultralow error of 3.7%. The AIAM method, with its output‐oriented nature, holds the potential to significantly improve the autonomy, predictability, efficiency, and accessibility of the AM processes, which will unlock new possibilities in the autonomous and intelligent printing of a broad range of functional materials and devices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

All-aerosol-jet-printed highly sensitive and selective polyaniline-based ammonia sensors: a route toward low-cost, low-power gas detection

In this work, we report the design and scalable fabrication of a low-cost and low-power polyaniline-based (PANI) ammonia (NH3) gas sensor on polyimide (PI) substrates using additive manufacturing techniques. The silver interdigitated electrode (IDE) arrays and conducting polymer films are printed onto PI using a direct-write technology of aerosol-jet printing. Morphological characteristics are examined by scanning electron microscopy and energy-dispersive X-ray analysis which reveal homogeneously printed PANI film on the IDE platform. The gas sensing performance is evaluated in the analytical early leak detection range of 5–1000 ppm NH3 in air as a function of both thermal (23 °C, 50 °C, 80 °C) and relative humidity (RH = 0%, 30%, 50%) exposures. The sensor exhibits sensitivity down to 5 ppm NH3 with a sub-ppm detection limit and good repeatability. We observe rapid NH3 detection at 0% RH with very extended times for equilibration and recovery. However, at both 30 and 50% RH, the room temperature response and recovery times are reduced to only about 1 min and 5 min, respectively. Experiments also reveal good sensitivity toward the analyte even at higher operating temperatures. Present results merit the practical application of aerosol-jet-printed, low-power sensors for industrial applications where low-level hazardous gas detection is essential.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Thermal and hydraulic performance of volumetrically heated triply periodic minimal surface heaters

Advanced heat transfer surfaces, mainly Triply Periodic Minimal Surfaces (TPMSs) have great potential to increase heat transfer performance over traditional heat transfer surfaces due to their tortuous flow path and higher surface area-volume ratio. The emergence of additive manufacturing of nuclear fuel motivates experimental investigation of such advanced geometries in the context of a nuclear reactor core. Here, this study employed a novel method to explore the performance of gyroid and diamond TPMS geometries. Volumetrically heated heaters were additively manufactured from conductive polymer filament, and airflow was used to simulate the convective heat transfer from the core within a nuclear reactor. The mass flow and volumetric generation rates were varied, local Nusselt number correlations were obtained using embedded thermocouples to measure the solid and fluid temperature, and friction factor correlations were developed using differential pressure measurements. The gyroid TPMS presented a friction factor 1.5 times higher than the diamond TPMS and 90 times that of the rod bundle. TPMS geometries showed Nusselt numbers 8–10 times higher than that of the rod bundle, also maintaining colder internal temperatures, which suggested that they could sustain 250–275 % higher power density than the rod bundle for a given centerline temperature. Hence, having the potential to greatly increase the safety margins and power output of a nuclear reactor core with similar volume.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Local heat transfer measurement in a volumetrically heated TPMS lattice using distributed optical fiber thermal sensing

As additive manufacturing continues to reduce design constraints on heat exchange geometries, methods for high-fidelity local heat transfer measurements in nonconventional channel geometries are critical to their continued development. This study presents a novel method for measuring local heat transfer performance in volumetrically heated lattices using a distributed optical fiber temperature sensor. A diamond-type triply periodic minimal surface (TPMS) lattice, 3D-printed from a conductive polymer, was Joule heated while it was convectively cooled with air. Temperature measurements were taken at the solid–fluid interface across 14 internal locations using a single optical fiber over the Reynolds number range 800–2750. The TPMS lattice achieved up to 312% higher heat transfer coefficients compared to developing flow in a straight tube. A Nusselt number correlation was developed for the diamond TPMS, which showed good agreement with data collected for comparable geometries available in literature. In conclusion, this study presents a robust and new method for experimental measurement of the heat transfer coefficient in complex geometries and helps to understand and quantify the exceptional performance of TPMS heat transfer geometries.

TPMS↗

DOE OSTI2020

Nano-FET-enabled biosensors: Materials perspective and recent advances in North America

Field-effect transistor (FET) is a very promising platform for biosensor applications due to its magnificent properties, including label-free detection, high sensitivity, fast response, real-time measurement capability, low running power, and the feasibility to miniaturize to a portable device. 1D (e.g. carbon nanotubes, Si nanowires, conductive polymer nanowires, 1D metal oxides, and others) and 2D (e.g. graphene materials, transition metal dichalcogenides, black phosphorus, and 2D metal oxides) materials, with their unique structural and electronic properties that are unavailable in bulk materials, have helped improve the sensitivity of FET biosensors and enabled detection down to single molecule. In this article, we give insights into the rapidly evolving field of 1D and 2D materials-based FET biosensors, with an emphasis on structure and electronic properties, synthesis, and biofunctionalization approaches of these nanomaterials. In addition, the progress in the 1D/2D-FET biosensors in North America, in the last decade, is summarized in tables. Moreover, challenges and future perspectives of 1D/2D-FET biosensors are covered.

1D materials↗

DOE OSTI2026

Interface-engineered (CrMnTiZnCo) 3 O 4 @polypyrrole nano-hybrids for superior lithium storage

High-entropy oxides (HEO) have emerged as promising anode materials for lithium-ion batteries (LIBs) due to their high theoretical specific capacity. However, their practical application is hindered by several challenges, including significant volume expansion, electrode pulverization, and substantial irreversible capacity loss during initial cycles. To address these limitations, this study designed a novel core-shell composite material, denoted as HEO@PPy, which consists of a (CrMnTiZnCo) 3 O 4 -based HEO core and a polypyrrole (PPy) shell. This composite demonstrates remarkable electrochemical performance: it maintains a specific capacity of 1090.1 mAh/g after 100 cycles at 100 mA/g and retains 521.8 mAh/g after 1000 cycles at 1 A/g, highlighting its superior cycling stability. Furthermore, it exhibits excellent rate capability, delivering a capacity of 372.1 mAh/g even at a high current density of 5 A/g. These findings confirm that the strategic compositional and structural design of HEOs, combined with hybridization with conductive polymers like PPy, provides a viable pathway for developing advanced anode materials for next-generation, high-performance lithium-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2020

Falling-film thermosyphons: Application to water harvesting from humid gas streams

Water harvesting from humid gas streams is central to fresh-water production, desalination, and particulate removal from combustion gas streams. Two-phase thermosyphons are well suited for these applications due to their very low thermal resistance, but have several operating limits at the high heat flows required for such applications. This work introduces the falling-film thermosyphon for large-scale condensation applications. Working fluid is pumped to the top of the evaporator to provide the evaporating liquid film on the inner tube wall, rather than by vapor condensation. The flooding, dry-out and pool-boiling limits are eliminated, resulting in significantly higher maximum heat fluxes for the same physical evaporator size. Furthermore, the condenser no longer needs to be located vertically above the evaporator, which allows for a standard steam condenser to be used. A model for the condensation process in humid air was developed that estimates the fluid and heat transfer and is confirmed experimentally. Further benefits include the use of a high-thermal-conductivity polymer material for the evaporator section to minimize corrosion, and the ability to impose a temperature boundary condition on the evaporator, which is made possible due to the elimination of a liquid pool.

42 ENGINEERING↗

DOE OSTI2026

Understanding the effect of organic coatings on 4-nitrostyrene hydrogenation selectivity over Pt/TiO 2 catalysts

The hydrogenation of 4-nitrostyrene was investigated over Pt/TiO 2 catalysts to understand the effects of different catalyst coatings on product selectivity and reaction rates. This reaction is a much-investigated selectivity probe due to difficulty in controlling reactivity between the nitro and vinyl groups of 4-nitrostyrene, with C=C reduction generally being more favorable. 4-Nitrostyrene hydrogenation reactions were carried out in a batch reactor using uncoated, organothiol coated, phosphonic acid (PA) coated, and ion-conducting polymer (ionomer) coated catalysts. Thiols form dense coatings on Pt surfaces, whereas PAs preferentially accumulate on TiO 2 ; ionomer binding preference is unknown for this type of catalyst. The coating densities of the thiols and PAs were varied to observe the effects of loading on catalytic activity and reaction selectivity relative to the uncoated catalyst. Changes in selectivity were observed for catalysts with all coatings, with thiol coatings shifting selectivity towards the nitro reduction product, 4-vinylaniline (4-VA), and both ionomer and PA coatings shifting towards 4-ethylnitrobenzene, the olefin hydrogenation product. It was observed that selectivity toward 4-VA increased with thiol coating density, where 1,2-benzenedithiol (BDT) coated catalysts exhibited a selectivity of >99%. These changes were attributed to the identity of the adsorption sites blocked by the different coatings: blocking of metal sites via thiols decreased the rate of C=C hydrogenation, whereas blocking of TiO 2 sites by PAs decreased the rate of nitro group hydrogenation. The changes observed for ionomer and PA coatings suggested that ionomers, like PAs, bind preferentially to the metal oxide support rather than the active metal. This work provides new support to the proposal that nitro group hydrogenation preferentially occurs on TiO 2 sites after hydrogen spillover and underscores how selection of ligand functionality can be used to tune catalyst selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

(CrMnCoNiZn) 3 O 4 @PPy core-shell nanocomposite with excellent electrochemical performance as lithium-ion battery anode

High entropy oxides (HEOs) have an excellent potential for use as electrode materials in lithium-ion batteries (LIBs) due to their high theoretical specific capacity. In this work, spinel-structured (CrMnCoNiZn) 3 O 4 HEO nanoparticles with five elements in equal molar ratio is first generated by solution combustion method. (CrMnCoNiZn) 3 O 4 @polypyrrole (PPy) nanocomposites are prepared by in-situ polymerization method. As an anode for lithium-ion batteries, the electrochemical performance of the (CrMnCoNiZn) 3 O 4 @PPy composite outperforms that of (CrMnCoNiZn) 3 O 4 nanoparticles. The capacity is 802 mAh/g after 100 cycles at a current density of 100 mA/g, 416 mAh/g after 1000 cycles at a high current density of 1 A/g, and 360 mAh/g rate capacity at 2 A/g. The excellent electrochemical performance of the composites is mainly due to the fact that the conductive and flexible PPy is encapsulated on the high-entropy oxides, which can alleviate the volume change triggered by extraction-insertion of lithium ions process, as well as enhance the electrical conductivity and reduce the occurrence of some side reactions. Finally, this method of compositing materials can also be used in other HEOs and conductive polymers, providing a new idea to enhance the electrochemical properties of HEOs.

25 ENERGY STORAGE↗

DOE OSTI2020

Comparison of semi-doped PANI/DBSA complex achieved by thermal doping and roll-mill process: A new perspective for application

Conductive polymers have garnered extensive attention over the last few decades owing to their vast applications and relative ease of production. One such polymer is PANI; with versatile thermo-mechanical, chemical, and electrical properties, has been researched for varied applications in the field of electronics, electrodes and corrosion protection. In this study, we focus on an alternative route to process semi-doped PANI/DBSA complexes with special focus on material properties for improved processability. This study investigates the influence of two different material preparation techniques: roll-milling and thermal-doping, on the formability and processability of such polymer-complex systems. Results confirm similar doping levels achieved in both processes and shear-thinning behavior was only observed for roll-milled samples. These results underline the formability of roll-milled PANI/DBSA with thermosetting resins. It essentially explains the production route and offers a perspective for commercial manufacturing.

36 MATERIALS SCIENCE↗