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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Understanding the Effect of Single Atom Cationic Defect Sites in an Al 2 O 3 (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab Initio Study

Adsorption is a promising under-the-sink selenate remediation technique for distributed water systems. Recently it was shown that adsorption induced water network rearrangement control adsorption energetics on the α-Al 2 O 3 (012) surface. Here, we aim to elucidate the relative importance of the water network effects and surface cation identity on controlling selenate and sulfate adsorption energy using density functional theory calculations. Density functional theory (DFT) calculations predicted the adsorption energies of selenate and sulfate on nine transition metal cations (Sc–Cu) and two alkali metal cations (Ga and In) in the α-Al 2 O 3 (012) surface under simulated acidic and neutral pH conditions. We find that the water network effects had a larger impact on the adsorption energy than the cationic identity. However, cation identity secondarily controlled adsorption. Most cations decreased the adsorption energy, weakening the overall performance, the larger Sc and In cations enabled inner-sphere adsorption in acidic conditions because they relaxed outward from the surface, providing more space for adsorption. Additionally, only Ti induced Se selectivity over S by reducing the adsorbing selenate to selenite but not reducing the sulfate. Altogether, this study indicates that tuning water network structure will likely have a larger impact than tuning cation–selenate interactions for increasing adsorbate effectiveness.

Adsorption↗
DOE OSTI2025

Methanol at Water–TiO 2 Interfaces: Free Energies of Water and Methanol Dissociation

Methanol adsorption on TiO 2 surfaces has long been studied due to its role in enhancing photocatalytic hydrogen evolution, yet how it modulates surface chemistry under aqueous conditions remains little understood. Using molecular dynamics with an ab initio-based deep neural network potential, we find that methanol adsorption induces markedly different effects on the aqueous surfaces of anatase and rutile, the two common phases of TiO 2 . In anatase, methanol adsorption significantly enhances water dissociation, which is otherwise rare at the neat water interface. This enhancement arises from an alternative dissociation pathway mediated by surface-bound methoxyl groups. In contrast, methanol adsorption tends to suppress water dissociation on rutile, replacing it with thermodynamically favored methanol dissociation. Overall, methanol adsorption in an aqueous environment alters not only the availability of key reactive intermediates involved in hydrogen evolution but also the hydrogen source, which turns out to be primarily methanol on rutile, whereas both water and methanol are consumed on anatase. These results provide mechanistic insights into the coupled roles of organic adsorbates and water at photocatalytic interfaces, with implications on how methanol enhances the activity of H 2 evolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Production of Carbon Nanomaterials and Sorbents from Domestic U.S. Coal (Final Report)

The main goal of this project was to produce high-value carbon nanomaterials and carbon sorbents from domestic coal resources in a cost-effective manner. Four types of domestic coal samples were processed through a combination of deashing, devolatilization, oxidation, reduction, and activation treatments to produce graphene oxide (GO), reduced graphene oxide (RGO), and activated carbon (AC). The precursors and developed materials were extensively characterized by various methods to investigate the impact of the coal feedstock type on the yield and quality of each product. A commercial graphite-based GO sample was included in the experimental work as the baseline material for comparison with the coal-based materials developed in this work. The performed work also included a technoeconomic analysis and cost estimation for a plant processing 20 tons/day coal, a market evaluation for the graphene materials, and a technology gap analysis. A simple process by concentrated nitric acid oxidation is used to oxidize coal precursors for the production of GO. Fine oxidized coal particles that were separated from larger oxidized coal particles had significantly higher oxygen contents and were identified as coal-based GO samples. Coarse oxidized coal particles were used as precursors for production of AC. Based on the Raman spectroscopy results, coal-based GO samples exhibited G and D bands similar to those of graphite-based GO samples. X-ray photoelectron spectroscopy revealed that coal-based GO samples had surface oxygen contents of ~26-35% that were higher than the oxygen contents of graphite-based GO samples. Larger particles of oxidized coal samples were activated under different conditions to produce high surface area functionalized AC. Prepared materials had surface areas exceeding 1,500 m 2 /g and pore volumes more than 1 cm 3 /g with different pore size distributions. Reduced graphene oxide samples were prepared by thermal reduction of both coal-based and graphite-based GO samples at 170-2800 ºC. Coal-based and graphite-based RGO samples exhibited similar carbon contents, Raman spectra, and XRD profiles. Heat treatment above 1500 ºC shifted RGO to synthetic graphite. Among anthracite, bituminous, subbituminous, and lignite coals tested, anthracite was the best precursor to produce carbon nanomaterials exhibiting properties similar to those of graphite-based materials. Anthracite-based carbon nanomaterials also had the highest production yields. Technoeconomic analysis estimated the production cost of GO and RGO for anthracite-based samples at about 2,600 and 4,200 $/ton, respectively, which is about two orders of magnitude lower than the current estimated price of graphite-based materials. Several gaps to further develop the proposed technology were identified and discussed that include process and equipment optimization, process integration, need for additional bench- and pilot-scale experiments, and other items to reduce the scale up risk. Market analysis reports suggested a compound annual growth rate of 40% for graphene and related materials. Short-term applications include composites, inks, and coatings. However, energy storage applications appear to be the dominant potential long-term applications. Different applications of coal-based GO and RGO need to be explored and clear metrics and standards for each application need to be developed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Conditional filamentation as an adaptive trait of bacteria and its ecological significance in soils

Bacteria can regulate cell morphology in response to environmental conditions, altering their physiological and metabolic characteristics to improve survival. Conditional filamentation, in which cells suspend division while continuing lateral growth, is a strategy with a range of adaptive benefits. Here, we review the causes and consequences of conditional filamentation with respect to bacterial physiology, ecology and evolution. We describe four major benefits from conditional filamentation: stress tolerance, surface colonization, gradient spanning and the facilitation of biotic interactions. Adopting a filamentous growth habit involves fitness trade-offs which are also examined. We focus on the role of conditional filamentation in soil habitats, where filamentous morphotypes are highly prevalent and where environmental heterogeneity can benefit a conditional response. Here, to illustrate the use of information presented in our review, we tested the conditions regulating filamentation by the forest soil isolate Paraburkholderia elongata 5N T . Filamentation by P. elongata was induced at elevated phosphate concentrations, and was associated with the accumulation of intracellular polyphosphate, highlighting the role of filamentation in a phosphate-solubilizing bacterium. Conditional filamentation enables bacteria to optimize their growth and metabolism in environments that are highly variable, a trait that can impact succession, symbioses, and biogeochemistry in soil environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A Novel Steam Condenser with Loop Thermosyphons and Film-Forming Agents for Improved Heat Transfer Efficiency and Durability

In this DOE/NETL BAA program, Advanced Cooling Technologies, Inc. (ACT), with Suez Water Technologies & Solutions (Suez), developed film-forming amine coatings applied to condenser surfaces that incorporated loop thermosyphons to enhance steam surface condenser performance and efficiency for coal-fired power plants. The condensation phenomenon resulting from these coatings promotes efficient dropwise condensation without additional thermal resistance through the use of film-forming amines (FFA). The loop thermosyphon technology was being developed to supplant current pumped cooling water systems to reduce operations and maintenance issues, reduce energy use, and promote high thermal performance. Both of ACT’s advanced coating and loop thermosyphon technologies were developed for application to wet cooling and indirect dry cooling systems. Internal steam condensation and subsequent heat dissipation complete the thermodynamic power cycle used by power plant cooling systems. The successful 3-year project period delved into understanding the experimental performance gain using film-forming amines applied to flat and tubular condenser surfaces under realistic operating conditions. The performance gain was used to create a technoeconomic analysis to more clearly understand the market value for power plants using FFA coatings to achieve dropwise condensation on condenser surfaces. A tall (50 ft.) loop thermosyphon was designed, fabricated, and tested to optimize the performance characteristics by tuning the working fluid charge and determining the temperature drop across the loop at different heat loads. Commercialization opportunities were explored to transition the loop thermosyphon work into the building HVAC market.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

An algorithm for physics informed scan path optimization in additive manufacturing

Site specific microstructure control is a critical research area within the field of additive manufacturing due to its potential to revolutionize part performance. One way to achieve site specific microstructure control is through control of the solidification conditions via the construction of intricate scan paths; however, the search space for such a problem is large. Previous attempts only considered the solidification conditions at the top surface while also requiring either lots of manual-fine tuning or large amounts of computational resources. This paper introduces a general method for scan path optimization which considers the solidification conditions in the bulk of the material without an increase in computational expense. This method consists of three core components:1. A heat transfer model for simulating the temperature field at a given time.2. A surrogate model which takes scan pattern information and temperature data and predicts the solidification conditions of the bulk as well as the meltpool depths for a spot melt.3. A decision algorithm to decide which spot melt should be printed next based on the outputs of the surrogate model.Each of these components can be changed without changing the overall method. Within this work, this method is applied in the creation of an algorithm containing a semi-analytic heat transfer model to simulate the temperature field, a fully convolutional neural network (FCNN) as the surrogate model, and a greedy decision algorithm. The resulting algorithm produced complex scan patterns which gave strong results for simulated microstructure control.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Purification of Lithium-Ion Battery Black Mass through Tailored Alkaline Corrosion

Obtaining high-purity material outputs is crucial to the viability of novel process aimed at direct recycling of lithium-ion batteries. Metallic impurities in recycled cathodes have been shown to inhibit performance, thereby threatening mainstream acceptance of recycled battery products. Thus, shredded black mass (BM) must be purified to remove metallic contaminants, and specifically Al and Cu originating from the electrode current collectors. We herein explore a process to ionize solid copper and aluminum to ionic form based on tailored alkaline chemistry, without incurring damage to the target cathode material (Li(NixMnyCo1-x-y)O2; NMC). Al and Cu corrosion may be enhanced through the addition of chloride salt, elevated temperatures, and the use of ultrasonication - all of which disrupt the formation of passivating films on the metallic surface, and thereby increase corrosion rate. We demonstrate optimized parameters for Al and Cu corrosion both from a kinetic and overall process cost perspective. Further, we analyze the impact of these conditions on the structural (XRD, SEM), chemical (EDS, ICP), and electrochemical (impedance, cycling, dQ/dV) properties of NMC, and suggest that the present purification method does not significantly disrupt NMC performance. Finally, we present preliminary results from a promising bench-scale demonstration of this purification process applied to a simulated black mass.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗
DOE OSTI2020

First-Principles Modeling of the Repassivation of Corrosion Resistant Alloys: Part II. Surface Adsorption Isotherms for Alloys and the Chloride Susceptibility Index

Quantitatively predicting the corrosion resistance of alloys is vital to the design and application of the next generation of superior corrosion resistant alloys (CRAs). Here, the Chloride Susceptibility Index (CSI), a scientifically based quantitative descriptor for repassivation tendency of CRAs, is proposed as a metric constructed through combining atomistically resolved information regarding adsorption and alloy surface composition with environmental conditions such as applied potential, temperature, pH, and Cl – concentration. Using this method, the response of CRAs to relevant environments can be predicted. CSI is determined by: (1) estimation of thermoequilibrium surface coverages of O and Cl by a Langmuir isotherm model using adsorption energies of different species (O, Cl, OH, H 2 O) obtained from DFT. (2) determination of CSI by integrating Cl surface coverage over a realistic window of applied potentials, thereby incorporating the effect of Cl surface coverage and electrochemical environment simultaneously. A series of Ni-Cr-X alloys was used as an example to develop and validate the method through studying the effect of different alloy solutes X on chloride resistance. Here, the trends and relations predicted by CSI are in qualitative agreements with experimental observations. Moreover, a quantitative correlation is found between CSI and the repassivation potential.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Analysis of silica fouling on nonwetting surfaces

Ground water sources used as coolant fluids in a variety of thermal systems such as heat exchangers and power plant condensers contain silica particles that accrete on heat transfer surfaces over time leading to reduction in thermal performance, a problem that is particularly exacerbated with temperature. Nonwetting superhydrophobic, lubricant-infused, and a new class of solid-infused surfaces introduced in this work are candidates for fouling mitigation, by virtue of their water repellency, but little is known about fouling of silica on the surfaces, especially under dynamic flow conditions and as a function of temperature. This article presents, for the first time, a systematic study of dynamic flow fouling of silica on nonwetting surfaces vis-à-vis conventional copper surface over a temperature range 20–50°C. The mechanism of silica aggregate formation and its adherence to the different surfaces is elucidated by scanning electron microscope (SEM) imaging. Sigmoidal growth model is used to describe the time evolution of fouling thermal resistance and an Arrhenius model is presented for the temperature-dependent increase in the asymptotic fouling resistance on nonwetting and conventional surfaces alike. Lubricant-infused and solid-infused surfaces are shown to reduce fouling thermal resistance by up to 25% and 13%, respectively, compared to a conventional surface, whereas superhydrophobic surfaces lose their non-wettability under flow conditions, leading to an adverse increase in the fouling resistance by up to 13%. Considering the possible lubricant depletion in lubricant-infused surfaces over prolonged exposure to a flowing fluid, solid-infused surfaces present a robust alternative.

42 ENGINEERING↗
DOE OSTI2025

Mitigating CaCO 3 crystal nucleation and growth through continuous ion displacement via alternating electric fields

Mineral crystal formation poses a challenge on surfaces (e.g., heat exchangers, pipes, membranes, etc.) in contact with super-saturated fluids. Applying alternating currents (AC) to such surfaces can prevent surface crystallization under certain conditions. Here, we demonstrate that ion displacement induced by periodic charging and discharging of the electrical double layer (EDL) inhibits both heterogeneous and homogeneous nucleation (and crystal growth) of CaCO 3 . Titanium sheets (meant to simulate metallic heat exchanger surfaces) are immersed in super-saturated CaCO 3 solutions with a saturation index >11. We show that at relatively high AC frequencies, incomplete EDL formation leads to an alternating electric field that propagates far into the bulk solution, inducing rapid ion migration that overwhelms the Brownian motion of ions. Electrochemical characterization reveals EDL charging/discharging under AC conditions that greatly inhibits precipitation. Operating at 4 V pp , 0.1–10 Hz reduces turbidity by over 96% and reduces CaCO 3 coverage on the metal plates by over 92%. Based on electrokinetic and crystallization models, the ion displacement velocity (exceeding the mean Brownian velocity) and displacement length disrupts ion collision and crystal nucleation. Overall, the technique has potential for preventing mineral crystal formation in heat exchangers and many other industrially relevant systems.

42 ENGINEERING↗
DOE OSTI2020

The mechanisms and seasonal differences of the impact of aerosols on daytime surface urban heat island effect

The urban heat island intensity (UHII) is the temperature difference between urban areas and their rural surroundings. It is commonly attributed to changes in the underlying surface structure caused by urbanization. Air pollution caused by aerosol particles can affect the UHII through changing (1) the surface energy balance by the aerosol radiative effect (ARE) and (2) planetary-boundary-layer (PBL) stability and airflow intensity by modifying thermodynamic structure, which is referred to as the aerosol dynamic effect (ADE). By analyzing satellite data and ground-based observations collected from 2001 to 2010 at 35 cities in China and using the WRF-Chem model, we find that the impact of aerosols on UHII differs considerably: reducing the UHII in summer but increasing the UHII in winter. This seasonal contrast is proposed to be caused by the different strengths of the ARE and ADE between summer and winter. In summer, the ARE on UHII is dominant over the ADE, cooling down surface temperature more strongly in urban areas than in rural areas because of much higher aerosol loading, and offsets the urban heating, therefore weakening UHII. In winter, however, the ADE is more dominant, because aerosols stabilize the PBL more in the polluted condition, weakening the near-surface heat transport over urban areas in both vertical and horizontal directions. This means that the heat accumulated in urban areas is dispersed less effectively, and thus the UHII is enhanced. These findings shed new light on the impact of the interaction between urbanization-induced surface changes and air pollution on urban climate.urban areas and their rural surroundings. It is commonly attributed to changes in the underlying surface structure caused by urbanization. Air pollution caused by aerosol particles can affect the UHII through changing (1) the surface energy balance by the aerosol radiative effect (ARE) and (2) planetary-boundary-layer (PBL) stability and airflow intensity by modifying thermodynamic structure, which is referred to as the aerosol dynamic effect (ADE). By analyzing satellite data and ground-based observations collected from 2001 to 2010 at 35 cities in China and using the WRF-Chem model, we find that the impact of aerosols on UHII differs considerably: reducing the UHII in summer but increasing the UHII in winter. This seasonal contrast is proposed to be caused by the different strengths of the ARE and ADE between summer and winter. In summer, the ARE on UHII is dominant over the ADE, cooling down surface temperature more strongly in urban areas than in rural areas because of much higher aerosol loading, and offsets the urban heating, therefore weakening UHII. In winter, however, the ADE is more dominant, because aerosols stabilize the PBL more in the polluted condition, weakening the near-surface heat transport over urban areas in both vertical and horizontal directions. This means that the heat accumulated in urban areas is dispersed less effectively, and thus the UHII is enhanced. These findings shed new light on the impact of the interaction between urbanization-induced surface changes and air pollution on urban climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction

Charge redistribution across heterojunctions has long been utilized to induce functional response in materials systems. Here we examine how the composition of the terminating surface affects charge transfer across a heterojunction consisting of Si and the crystalline complex oxide SrTiO 3 . Itinerant electrons in Si migrate across the interface toward the surface of SrTiO 3 due to surface depletion. The electron transfer in turn creates an electric field across the interface that modifies the interfacial dipole associated with bonding between SrTiO 3 and Si. The modification in the dipole leads to a change in band alignment, in which the conduction band of SrTiO 3 moves from being above the valence band of Si in energy, to below it. By capping the SrTiO 3 surface with ultrathin (≤ 1 nm) layers of BaO, SrO or TiO 2 , charge transfer across the interface can be weakened or inhibited. Ab initio modeling implicates the adsorption of oxygen associated with exposure to ambient conditions as driving the surface depletion in SrTiO 3 . In conclusion, the electronic coupling between the surface and buried interface expands the functionality of semiconductor-crystalline oxide heterojunctions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Temperature effects on cobalt hydroxide–cobalt carbonate competitive growth on carbonate surfaces

Cobalt (Co), a critical metal essential for various environmental and industrial processes, undergoes speciation and immobilization in natural systems, primarily interacting with existing mineral surfaces. Understanding the underlying mechanisms of Co immobilization on abundant carbonate surfaces under different environmental conditions is critical for predicting Co mobility, availability, and recovery. In this study, we investigated the temperature-dependent competition between CoCO 3 and Co(OH) 2 formation on calcite (CaCO 3 ) and magnesite (MgCO 3 ) surfaces. Using X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS), we analyzed carbonate substrates exposed to CoCl 2 solutions at varying concentrations (0–500 μM) and temperatures (22, 50, and 80 °C). Magnesite surfaces promoted CoCO 3 formation due to its low lattice mismatch with sphaerocobaltite (CoCO 3 ). However, this slow-growing CoCO 3 component was progressively outcompeted by Co(OH) 2 formation as the temperature and/or initial Co concentration increased. On calcite surfaces, the poor lattice mismatch between calcite and sphaerocobaltite led to Co(OH) 2 outcompeting CoCO 3 formation at all three temperatures. These findings provide critical insights into the roles of substrate composition, solution chemistry, and temperature in controlling Co speciation and mobility. They carry important implications for environmental transport, geochemical cycling, and industrial recovery of cobalt in carbonate-rich systems.

Calcite↗
DOE OSTI2024

Viral niche-partitioning: comparative genomics of giant viruses across environmental gradients in a high Arctic freshwater-saltwater lake

Giant viruses (GVs; Nucleocytoviricota) impact the biology and ecology of a wide range of eukaryotic hosts, with implications for global biogeochemical cycles. Here, we investigated GV niche separation in highly stratified Lake A at the northern coast of Ellesmere Island, Nunavut, Canada. This lake is composed of a layer of ice-covered freshwater that overlies saltwater derived from the ancient Arctic Ocean, and it therefore provides a broad gradient of environmental conditions and ecological habitats, each with a distinct protist community and rich assemblages of associated GVs. The upper layer (mixolimnion) had measurable light and oxygen, and contained diverse GVs linked to photosynthetic protists, indicating adaptation to surface biotic and abiotic conditions. In contrast, the saline lower layer (monimolimnion), lacking oxygen and light, hosted GVs associated with predicted heterotrophic protists, some of which are known for a predatory lifestyle, and with several viral genes suggesting adaptation to deep-water anaerobic conditions. Our observations underscore the coupling between physical and chemical gradients, microeukaryotes and their associated GVs in Lake A, and provide insight into the potential for GVs to directly and indirectly impact host metabolism. There were similarities between the genetic composition of GVs and the metabolic processes of their potential hosts, implying co-evolution and niche-adaptation within the lake habitats. Notably, we found a greater presence of viral rhodopsins in deeper water layers, suggesting an evolutionary relationship with potential hosts capable of supplementing their energetic needs to thrive in low energy, anoxic conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Effects of O 2 addition on in-plasma photo-assisted etching of Si with chlorine

Addition of oxygen was used to control the in-plasma photo-assisted etching (PAE) of p-type Si(100) and poly-Si in a high density, inductively coupled, Faraday-shielded, Ar/Cl 2 (225/25 SCCM), 60 mTorr plasma. After etching, samples were transferred under vacuum to an UHV x-ray photoelectron spectroscopy chamber for surface analysis. Samples etched under PAE conditions (ion energies below the ionassisted etching, IAE, threshold) had a thicker surface oxide and lower [Cl] surface concentration, when compared to samples etched under IAE conditions (ion energies above the IAE threshold). PAE was found not to be affected by 0.1 or 0.25 SCCM O 2 addition, while etching stopped with more than 0.5 SCCM O 2 addition. IAE with RF power on the sample stage, resulting in -65 V self-bias, was not affected by up to 2 SCCM of oxygen addition but decreased rapidly when more than 5 SCCM O 2 was added to the plasma. These results imply that PAE may be completely suppressed, while IAE occurs unobstructed. The implications of these findings are discussed in view of applications involving continuous wave and pulsed-plasma processes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Identifying factors controlling the selective ethane dehydrogenation on Pt-based catalysts from DFT based micro-kinetic modeling

Herein, a detailed EDH reaction mechanism on Pt(111), Pt(211), Pt 3 Sn(111) and Pt 3 Sn(211) surfaces has been systematically computed with DFT. A mean-field micro-kinetic model has been established to simulate the product distribution and selectivity on each surface at experimentally relevant conditions. We have uncovered a number of different factors controlling the catalytic performance of Pt-based EDH catalysts, thus leading to a better understanding of experimentally detected phenomenon. In this study, the (111) and (211) model surfaces of Pt and Pt 3 Sn catalysts were chosen to represent the terrace and step-edge sites when simulating the EDH reaction mechanisms.

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

The Study of the Binder Poly(acrylic acid) and Its Role in Concomitant Solid–Electrolyte Interphase Formation on Si Anodes

In this work we use neutron reflectometry to study how the polymeric binder, poly(acrylic acid) (PAA), affects the in situ formation and chemical composition of the solid–electrolyte interphase (SEI) formation on a silicon anode at various states of charge. The reflectivity is correlated with electrochemical quartz crystal microbalance to better understand the viscoelastic effects of the polymer during cycling. The use of model thin films allows for a well-controlled interface between the amorphous Si surface and the PAA layer. If the PAA perfectly coats the Si surface and standard processing conditions are used, the binder will prevent the lithiation of the anode. The PAA suppresses the growth of a new layer formed at early states of discharge (open circuit voltage to 0.8 V vs Li/Li+), protecting the surface of the anode. At 0.15 V, the SEI layer underneath the PAA changes in chemical composition as indicated by an increase in the scattering length density and thickness as the layer incorporates components from the electrolyte, most likely the salt. At lithiated and delithiated states, the SEI layer changes in chemical composition and grows in thickness with delithiation and shrinks during lithiation.

36 MATERIALS SCIENCE↗