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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

In Situ Raman Mapping of Si Island Electrodes and Stress Modeling as a Function of Lithiation and Size

Si is known for cracking and delamination during electrochemical cycling of a battery due to the large volume change associated with Li insertion and extraction. However, it has been found experimentally that patterned Si island electrodes that are 200 nm thick and less than 7 μm wide can deform in a purely elastic manner. Inspired by this, we performed in situ Raman stress characterization of model poly-crystalline Si island electrodes using an electrochemical cell coupled with an immersion objective lens and designed for a short working distance. A 5 μm wide Si island electrode showed a parabolic stress profile during lithiation, while for a 15 μm Si island electrode, a stress plateau in the center of the electrode was observed. A continuum model with coupled electro-chemo-mechanical (ECM) physics was established to understand the stress measurement. A qualitative agreement was reached between modeling and experimental data, and the critical size effect could be explained by the Li diffusive flux as governed by competition between the Li concentration and hydrostatic stress gradients. Below the critical size, the stress gradient drives Li toward the edges, where the electrode volume is free to expand, while above the critical size, the stress plateau inhibits Li diffusion to the edge and forces destructive stress relief by cracking. Furthermore, this work represents a promising methodology for in situ characterization of ECM coupling in battery electrodes, with suggestions provided for further improvement.

25 ENERGY STORAGE↗
DOE OSTI2024

3D printed optimized electrodes for electrochemical flow reactors

Recent advances in 3D printing have enabled the manufacture of porous electrodes which cannot be machined using traditional methods. With micron-scale precision, the pore structure of an electrode can now be designed for optimal energy efficiency, and a 3D printed electrode is not limited to a single uniform porosity. As these electrodes scale in size, however, the total number of possible pore designs can be intractable; choosing an appropriate pore distribution manually can be a complex task. To address this challenge, we adopt an inverse design approach. Using physics-based models, the electrode structure is optimized to minimize power losses in a flow reactor. The computer-generated structure is then printed and benchmarked against homogeneous porosity electrodes. We show how an optimized electrode decreases the power requirements by 16% compared to the best-case homogeneous porosity. Future work could apply this approach to flow batteries, electrolyzers, and fuel cells to accelerate their design and implementation.

25 ENERGY STORAGE↗
DOE OSTI2020

Electrochemical Dilatometry of Si-Bearing Electrodes: Dimensional Changes and Experiment Design

The severe volumetric changes in Si particles during the Li (de)alloying process cause expansion and contraction of the electrodes, which along with excessive electrolyte reduction and solid electrolyte interphase formation brings about rapid decay in cell capacity. In this work, we use operando electrochemical dilatometry to quantify the (de)lithiation-induced expansion/contraction of Si-based and graphite-rich electrodes during electrochemical cycling. We evaluate the relationship between electrode capacity and dilation and observe that by increasing the Si contribution to the electrode capacity, the swelling is aggravated upon lithiation. For silicon-rich anodes, the electrode dilation can be higher than 300%, and the expansion profile consists of a combination of slow swelling at low lithiation followed by an accelerated increase at higher lithium contents. We investigate how electrode properties, such as porosity, affect the dilation profile and quantify the irreversible expansion of the electrodes. Finally, we discuss some of the challenges associated with the dilatometry technique and suggest experimental approaches for obtaining consistent and reliable data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Evaporation-Induced Vertical Alignment Enabling Directional Ion Transport in a 2D-Nanosheet-Based Battery Electrode

2D nanosheets have been widely explored as electrode materials owing to their extraordinarily high electrochemical activity and fast solid-state diffusion. However, the scalable electrode fabrication based on this type of material usually suffers from severe performance losses due to restricted ion-transport kinetics in a large thickness. Here, a novel strategy based on evaporation-induced assembly to enable directional ion transport via forming vertically aligned nanosheets is reported. The orientational ordering is achieved by a rapid evaporation of mixed solvents during the electrode fabrication process. Compared with conventional drop-cast electrodes, which exhibit a random arrangement of the nanosheets and obvious decrease of rate performance with increasing thickness, the electrode based on the vertically aligned nanosheets is able to retain the original high rate capability even at high mass loadings and electrode thickness. Furthermore, combined electrochemical and structural characterization reveals the electrode composed of orientation-controlled nanosheets to possess lower charge-transfer resistances, leading to more complete phase transformation in the active material.

25 ENERGY STORAGE↗
DOE OSTI2021

Metal Nitride Electrode Stress and Chemistry Effects on Phase and Polarization Response in Ferroelectric Hf 0.5 Zr 0.5 O 2 Thin Films

Ferroelectric phase stability in hafnium oxide is reported to be influenced by factors that include composition, biaxial stress, crystallite size, and oxygen vacancies. In the present work, the ferroelectric performance of atomic layer deposited Hf 0.5 Zr 0.5 O 2 (HZO) prepared between TaN electrodes that are processed under conditions to induce variable biaxial stresses is evaluated. The post-processing stress states of the HZO films reveal no dependence on the as-deposited stress of the adjacent TaN electrodes. All HZO films maintain tensile biaxial stress following processing, the magnitude of which is not observed to strongly influence the polarization response. Subsequent composition measurements of stress-varied TaN electrodes reveal changes in stoichiometry related to the different preparation conditions. HZO films in contact with Ta-rich TaN electrodes exhibit higher remanent polarizations and increased ferroelectric phase fractions compared to those in contact with N-rich TaN electrodes. HZO films in contact with Ta-rich TaN electrodes also have higher oxygen vacancy concentrations, indicating that a chemical interaction between the TaN and HZO layers ultimately impacts the ferroelectric orthorhombic phase stability and polarization performance. The results of this work demonstrate a necessity to carefully consider the role of electrode processing and chemistry on performance of ferroelectric hafnia films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

In Vitro Bovine Liver Experiment of Cisplatin-Infused and Normal Saline-Infused Radiofrequency Ablation with an Internally Cooled Perfusion Electrode

Purpose: To evaluate the efficacy of cisplatin-infused and normal saline-infused radiofrequency ablation (RFA) with internally cooled perfusion (ICP) electrode. Materials and Methods: Using a 200 W generator, thirty ablation zones were created and divided into three groups of 10 each as follows: group A, RFA alone with 16 gauge monopolar internally cooled (IC) electrode; group B, cisplatin-infused RFA with 16 gauge ICP electrode; and group C, normal saline-infused RFA with 16 gauge ICP electrode. Radiofrequency was applied to the explanted bovine liver for 12 min. During RFA, cisplatin and normal saline were injected into tissue at a rate of 0.5 mL/min through the ICP electrode by injection pump. Dimensions of the ablation zone and technical parameters were compared between the three groups. Result: In the cisplatin-infused RFA group, the ablation zone size was significantly larger than that of the RFA-alone group but significantly smaller than normal saline-infused RFA group. The width of longitudinal section and volume were 3.39 ± 0.22 cm{sup 2} and 26.55 ± 4.62 cm{sup 3} in RFA-alone group, 3.88 ± 0.32 cm{sup 2} and 36.45 ± 5.46 cm{sup 3} in cisplatin-infused RFA group, and 4.52 ± 0.50 cm{sup 2} and 49.44 ± 7.55 cm{sup 3} in normal saline-infused RFA group, respectively (p < 0.05 between any two groups). The mean impedance in group A, B, and C were 60.0 ± 7.2, 50.3 ± 2.5, and 40.3 ± 4.0 Ω, respectively (p < 0.05 between any two groups). Conclusion: Cisplatin-infused RFA with ICP electrode created the larger size of ablation zone than that of monopolar RFA with an IC electrode, but created the smaller size of ablation zone than that of normal saline-infused RFA.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Failure Analysis of Pinch Weld Electrodes

We present that Savannah River Site uses brazed copper/tungsten electrodes for a specialized weld referred to as a pinch weld. An alternative method to produce the pinch weld electrodes was sought to improve quality and to reduce the manufacturing steps. Backcasting of pinch weld electrodes was selected as such a process. During preliminary testing, deformation of the electrodes was observed. A failure analysis assessment was conducted and the strength of the electrodes was found to be significantly less than required to enable welding of the tubes. This assessment includes compression testing metallographic analysis. The pinch weld electrodes fabricated by backcasting do not meet the requirements with respect to strength. Additionally, a minimum strength requirement for conventionally prepared electrodes is recommended.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Atomic layer deposition in porous electrodes: A pore-scale modeling study

Coating porous electrodes of Li-ion batteries with functional materials by atomic layer deposition (ALD) can enhance their capacity stability. Because of the complex microstructure of the porous electrodes, predicting the required exposure time of the precursors for achieving a desired coating and the coating characteristics for a given exposure time remains difficult. Here, a three-dimensional (3D) pore-scale lattice Boltzmann model is developed to investigate the reactive transport processes during the ALD of reconstructed electrodes and to assess the accuracy of one-dimensional (1D) mean-field models. The effects of the hierarchical structure of pores and their connectivity on the coating process of ALD are investigated and the detailed coating characteristics in the electrodes are resolved. Electrodes with smaller pore sizes requires a longer exposure time to achieve full coating. At the same depth within an electrode, the smaller pores are coated more slowly than the wider pores (especially at high Damkohler numbers) and the coating speed of well-connected pores are faster than that of poorly connected pores. Furthermore, simulations also reveal that the 1D mean-field model can capture the average coating characteristics reasonably well when pores in the electrodes are well connected but may perform poorly if the pores are poorly connected.

25 ENERGY STORAGE↗
DOE OSTI2024

Forming more and sharper sensing protrusions on graphene-based electrodes through annealing

A better understanding of the microstructure, physicochemical properties, and sensing behavior of an electrode is critical in developing quick, high sensitivity, and robust electrochemical sensors. Here, in this study, a single electrode was fabricated with self-prepared graphene ink through a drop-cast process followed with a subsequent annealing treatment. The graphene ink-based electrodes were characterized through AFM, contact angle, FTIR, impedance spectra, Raman, and SEM to understand annealing treatment effects. The dynamic response of the electrode to humidity, and vapors of ethanol, propanol, or acetone was measured using a four-point probe station in a closed chamber. The annealing treatment increased the conductivity of the electrode and improved its sensing performance by forming more and sharper protrusions on the electrode surface. These unique surface protrusions suggest that the annealed graphene ink-based electrodes hold great potential in developing high-performance electrochemical sensors.

42 ENGINEERING↗
DOE OSTI2022

Accelerating the discovery of battery electrode materials through data mining and deep learning models

The availability of crystalline materials databases allows for building accurate machine learning (ML) models that can accelerate the exploration of materials chemical space for energy storage applications. In this work, we screen all inorganic materials included in the Materials Project and AFLOW databases as potential metal-ion battery electrodes. We develop an efficient protocol to mine and screen raw data in current databases and provide a new database of electrode materials by considering pairs of charged and discharged electrodes. This effort leads to a new database with over 190,000 instances, in contrast to the original battery database which contains about 5000. The expanded battery data set is then used to build regression-based deep neural network models for predicting average voltages and percentage volume changes upon charging and discharging, which present improvements of at least 28% for target properties with respect to previous models, and are now able to predict anode electrodes (low voltage region) as well as electrodes that will not work in electrochemical cells (negative voltages), overcoming the challenges identified in previous ML models for battery electrodes. Additionally, a further screening of the expanded database itself allowed us to identify 35 novel electrode candidates with excellent battery performance metrics.

25 ENERGY STORAGE↗
DOE OSTI2014

Silver nanowire/polyaniline composite transparent electrode with improved surface properties

Highlights: • AgNWs/PANI transparent electrode was prepared by layer-by-layer coating method. • The surface roughness of the electrode reached to 6.5 nm (root mean square). • The electrode had reasonable sheet resistance (25 Ω/□) and transmittance (83.5%). - Abstract: Silver nanowires (AgNWs) are as potential candidates to replace indium tin oxide (ITO) in transparent electrodes because of their preferred conducting and optical properties. However, their rough surface properties are not favorable for the fabrication of optoelectronic devices, such as displays and thin-film solar cells. In the present investigation, AgNWs/polyaniline composite transparent electrodes with better surface properties were successfully prepared. AgNWs were incorporated into polyaniline:polystyrene sulfonate (PANI:PSS) by layer-by-layer coating and mechanical pressing. PANI:PSS decreased the surface roughness of the AgNWs electrode by filling the gap of the random AgNWs network. The transparent composite electrode had decreased surface roughness (root mean square 6.5 nm) with reasonable sheet resistance (25 Ω/□) and transmittance (83.5%)

36 MATERIALS SCIENCE↗
DOE OSTI2015

Research and analysis on electrochemical performances of α-Fe{sub 2}O{sub 3} electrode in Li-ion battery with different current collectors

Highlights: • We achieved a reversible capacity of 415 mAh g{sup −1} after 30 cycles for α-Fe{sub 2}O{sub 3} electrode in Li-ion battery. • Better electrical performance was obtained when using Cu foam as current collector. • As current collector for α-Fe{sub 2}O{sub 3} electrode, Cu foam is better than Cu foil and Ni foam. • It could avoid the active materials falling off from the current collector during cycling. • It is owe to smaller surface film resistance, charge-transfer resistance, etc. - Abstract: In this work, we reported a simple synthesis of submicron α-Fe{sub 2}O{sub 3} with rod-like structure. When it evaluated as electrode material for lithium ion battery, comparing with Cu foil and Ni foam, the as-prepared α-Fe{sub 2}O{sub 3} electrodes with Cu foam current collector exhibited higher reversible capacity of 415 mAh g{sup −1} and more stable cycle performance after 30 cycles. Comparative researches on electrochemical performances of the α-Fe{sub 2}O{sub 3} employing different current collectors (Cu foil, Cu foam and Ni foam) were discussed here in detail. According to our results, the improved electrochemical behaviors of α-Fe{sub 2}O{sub 3} electrode with Cu foam current collector could be attributed to its particular electrode structure, i.e., porous, good electric conductivity, closed adhere to the electrode materials. Just because of that, it may make sure an easy accessibility of electrolytes and fast transportation of lithium ions, importantly, it could avoid the active materials falling off from the current collector on account of volume expansion.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Screen printed silver top electrode for efficient inverted organic solar cells

Highlights: • Screen printing of silver pattern. • X-ray diffraction pattern confirmed the face centered cubic structure of silver. • Uniform surface morphology of silver pattern with sheet resistance of 0.06 Ω/sq. • The power conversion efficiency of fabricated solar cell is found to be 2.58%. - Abstract: The present work is mainly focused on replacement of the vacuum process for top electrode fabrication in organic solar cells. Silver top electrode deposited through solution based screen printing on pre-deposited polymeric thin film. The solution based printing technology provides uniform top electrode without damaging the underlying organic layers. The surface crystallinity and surface morphology of silver top electrode are examined through X-ray diffraction, field-emission scanning electron microscope and atomic force microscope. The purity of silver is examined through X-ray energy dispersive spectroscopy. The top electrode exhibits face centered cubic structure with homogeneous morphology. The sheet resistance of top electrode is found to be 0.06 Ω/sq and an average pattern thickness of ∼15 μm. The power conversion efficiency is 2.58%. Our work demonstrates that the solution based screen printing is a significant role in the replacement of vacuum process for the fabrication of top electrode in organic solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Electrochemical detection of chlorate on a novel nano-Au/TiO{sub 2}NT electrode

Highlights: • Highly stable gold nanoparticles were synthesized by a simple photochemical process. • TiO{sub 2} nanotubes were used as substrate for preparation of a novel 3D modified electrode. • This electrode was capable of chlorate ion reduction and detection. - Abstract: The present work describes the synthesis, characterization and application of Au nanoparticles modified titanium nanotube electrode (Nano-Au/TiO{sub 2}NT) as a novel and sensitive electrode material for electrochemical sensing of chlorate. For this purpose, highly ordered TiO{sub 2} nanotube (TiO{sub 2}NT) electrode was synthesized by anodization of metallic titanium foil in ethylene glycol-water solution. Nano-Au/TiO{sub 2}NT was obtained by drop casting a solution of homogeneous and fine structures of gold nanoparticles, which were prepared from HAuCl{sub 4} using a new simple photochemical process. Structural and elemental analysis characteristics of the resulting Nano-Au/TiO{sub 2}NT electrode were investigated by scanning electron microscopy and X-ray diffraction analysis. The electrocchemical activity of resulted Nano-Au/TiO{sub 2}NT electrode towards chlorate reduction in acidic solution was confirmed by cyclic voltammetry and chronoamperometry methods An enhancement of amperometric current in the presence of chlorate was afforded to chlorate detection with a low detection limit of 12 μM and linear range of 50 μM to 4.8 mM.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Facile synthesis of nitrogen-doped porous carbon as robust electrode for supercapacitors

Highlights: • An efficient and facile method is developed to prepare porous N doped carbon. • A high areal capacitance of 682.8 mF cm{sup −2} is achieved by this electrode. • This electrode also exhibit outstanding cycling preformance. - Abstract: Porous carbon nanomaterials are highly attactive as electrode materials for supercapacitors (SCs), but the relatively low capacitance as a result of their intrinsic electric double-layer mechanism severely hinders their practical applications. In addition, the complicated preparation processes of most porous carbon nanomaterials previously reported is less impressive for large-scale application. In this work, we report an efficient and simple method to synthesize porous N doped carbon (PNC) on flexible carbon cloth as high-performance electrode for SCs. Benefiting from the unique porous architecture and high N dopant content, the as-fabricated PNC electrode delivers excellent capacitive performance. A high areal capacitance of 682.8 mF cm{sup −2} at 2 mA cm{sup −2} and outstanding cycling performance (less than 4% capacitance fading after 10,000 cycles) is achieved by this PNC electrode. This work opens up new opportunities in developing advanced carbon-based electrode for energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Rationally designed negative electrode for selective CO 2 -to-CO conversion in protonic ceramic electrochemical cells

Protonic ceramic electrochemical cells (PCECs) are solid-state electrochemical devices that employ proton-conducting oxides as electrolytes, which offer a promising approach for electrification of chemical manufacturing, including CO 2 reduction to produce value-added chemicals (e.g., CO). The primary advantage of PCECs is their intermediate operating temperatures (300–600 °C), which thermodynamically and kinetically favor the CO 2 reduction chemistry at the negative electrode. However, the conventional negative electrodes of PCECs, such as BaZr 0.8–x Ce x Y 0.2 O 3-δ -Ni or BaZr 0.8–x Ce x Y 0.1 Yb 0.1 O 3-δ -Ni, cannot reduce CO 2 to either CH 4 or CO with a selectivity of >99 %, leading to the production of a CO and CH 4 mixture. Herein, an oxide-supported in-situ exsolved Ni-Fe alloyed nanoparticle electrocatalyst, Sr 2 Fe 1.4 Mo 0.5 O 6-δ -Ni0.175 (SFM-Ni0.175), is first employed as the negative electrode of PCECs. The PCECs equipped with this new negative electrode selectively favor the CO 2 -to-CO conversion. A selectivity of ~100 % toward CO has been demonstrated over a wide range of operating temperatures (400–600 °C) and applied potentials/current densities. The negative electrode demonstrated in this work fully suppresses the CH 4 production. In situ diffuse reflectance infrared spectroscopy (DRIFTS) was performed to probe the CO 2 reduction mechanisms over both SFM-Ni0.175 and the traditional negative electrode (BCZYYb7111 +Ni), which indicates SFM-Ni0.175 inhibits the formation of formate species, leading to selective production of CO. Finally, this work validates that PCECs equipped with the rationally designed negative electrode can selectively manufacture chemicals.

25 ENERGY STORAGE↗
DOE OSTI2017

Investigation of Solid Electrolyte Interphase Formed on Si Nanoparticle Composite Electrodes Using Hyperpolarized 129 Xe Nuclear Magnetic Resonance Spectroscopy

Solid electrolyte interphase (SEI) plays an important role in determining electrochemical performances of Li-ion batteries. The ideal SEI layer protects the electrolyte from being further reduced on the electrode surface and allows Li-ion diffusion in and out of electrodes without any consumption. However, degradation of the SEI layer over time, which contributes to the thickening of the SEI layer, is a leading pathway for gradual capacity fade. In this study, a hyperpolarized (HP) 129 Xe nuclear magnetic resonance (NMR) technique was applied for the first time to probe changes in porosity and connectivity in Si nanoparticle composite electrodes as a result of the SEI formation. Nanopores are present in nanocomposite electrodes as a result of aggregation of the constituting nanoparticles. The connectivity among nanopores greatly affects the ion transport property of the electrode materials, which has a substantial influence on the overall energy output of Li-ion batteries. Here, information on thickness, uniformity of the SEI layer, and connectivity of the pores in the composite electrodes upon growing SEI was obtained from the analysis of temperature-dependent HP 129 Xe NMR spectra. Such information is useful for gaining a better understanding of the degradation mechanism of SEI. This study demonstrates that HP 129 Xe NMR is a potentially unique tool in probing the porosity and connectivity changes in porous practical electrodes during electrochemical cycling.

25 ENERGY STORAGE↗
DOE OSTI2018

Revealing the Rate-Limiting Li-Ion Diffusion Pathway in Ultrathick Electrodes for Li-Ion Batteries

Increasing the loading of active materials by thickening the battery electrode coating can enhance the energy density of a Li-ion cell, but the trade-off is the much reduced Li + transport kinetics. To reach the optimum energy and power density for thick electrodes, the effective chemical diffusion coefficient of Li + (D Li ) must be maximized. However, the diffusion of Li + inside an electrode is a complex process involving both microscopic and macroscopic processes. Fundamental understandings are needed on the rate-limiting process that governs the diffusion kinetics of Li + to minimize the negative impact of the large electrode thickness on their electrochemical performance. In this study, lithium Ni–Mn–Co oxide (NMC) cathodes of various thicknesses ranging from 100 to 300 μm were used as a model system to study the rate-limiting diffusion process during charge/discharge. The rate-limiting diffusion coefficient of Li + was investigated and quantified, which was correlated to the electrochemical performance degradation of thick electrodes. Lastly, it is revealed here that the under-utilization of the active material was caused by the limited diffusion of Li + inside the porous electrode, leading to a critical electrode thickness, beyond which the specific capacity was significantly reduced.

25 ENERGY STORAGE↗