bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparing the Corrosion Behavior and Microstructure of a WE43 Mg Alloy in Simulated Body Fluids Under Different CO2 Conditions
Authors: Yang Chen-Hsun , Chang Hung-Ying , Chu Peng-Wei 
Published: August 2024

With the low density and high specific strength, magnesium (Mg) alloys are lightweight alloys with various applications. In addition, combined with biocompatibility, similar mechanical properties to human bones, and unique biodegradability, Mg alloys are promising biodegradable implant materials for orthopedic surgeries. However, the degradation rates of Mg alloys are too fast in physiological environments, which limits the clinical applications of Mg implants. Therefore, understanding the corrosion behavior in physiological environments is crucial for developing biodegradable Mg alloys.
During Mg alloy degradation, hydroxide (OH-) ions are generated, and the pH near the alloy surface increases. Since carbonate-bicarbonate (CO3
2--HCO3
-) is a vital pH buffer system in the human body, the corrosion behavior of Mg alloys would be affected by the CO2 concentrations of the test environments. In this study, we performed electrochemical and corrosion tests of a solution heat-treated WE43 (Mg-4 wt%Y-3 wt%Nd) alloy in Hanks’ balanced salt solutions (HBSS) at 37°C. By performing the tests in air and in an incubator maintained at 5% CO2, the effect of carbonate-bicarbonate pH buffering on the corrosion behavior and corrosion microstructure of the WE43 Mg alloy was investigated.
When testing the WE43 Mg alloy in air, a general corrosion morphology was observed during the 24-hour immersion. In contrast, WE43 Mg alloy tested in the incubator shows a more active surface potential and localized corrosion initiates on the alloy surface in the early stages of immersion. Electrochemical impedance spectroscopy (EIS) analysis shows that WE43 Mg alloy tested in air has better corrosion resistance than in the incubator. Furthermore, the corrosion resistance of the alloy tested in air increases with immersion time but decreases when tested in the incubator. Potentiodynamic polarization curves after 24-hour immersion confirm that the corrosion current density (i
corr) of the WE43 Mg alloy tested in the incubator is higher than that when tested in air. The difference in corrosion behavior is owing to the carbonate-bicarbonate pH buffering effect and will be discussed based on corrosion microstructure characterizations.

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(Invited) Battery Safety and Self-Quenching Battery Pack Concept: D3 (Dissipate, Direct, and Douse Heat and Fire)
Authors: Pannala Sreekanth , Li Tingwen 
Published: August 2024

Battery pack safety following an individual cell runaway is an important aspect to address as we pack more energy into a small volume and mass. Thermal runaway incidents are extremely rare but can be catastrophic. The runaway can be triggered by local overcharge, thermal or mechanical abuse.
In this talk, we will first go into the details of thermal runaway initiation and propagation. Second, solution to quench the thermal runaway from propagating within the cell through a novel and passive detection of incipient thermal runaway temperature via thermoplastics will be introduced; and that is followed by discussion on the coolant release trigger to quench the runaway. In addition, this solution prevents propagation from cell-to-cell and reduce the chance for secondary combustion. This solution also leverages the fast thermal conductivity that is offered by the Cu and Al current collectors within the cell. The role of current collectors in relaying the information from the source of thermal runaway to the surface of the new format cell will be discussed.
The solution proposed here is chemistry agnostic and can be adapted to applications such as in transportation of cells and packs, grid energy storage, and mobility. The talk concludes by describing the next steps and value chain partnerships to make this safer solution a reality.
Below is an image that shows the self-quenching battery concept.

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Chemistry and Formation of Solid-Electrolyte Interphase (SEI) at Li-Metal Potential
Authors: Yu Weilai , Cui Yi , Bao Zhenan 
Published: August 2024

Li metal batteries (LMBs) have long been considered a solution to address the energy density limitations of Li-ion batteries. However, the widespread adoption of LMBs has faced challenges due to operational issues, notably safety concerns arising from the formation of Li dendrites and uncontrolled reactivity at the interfaces, leading to continuous consumption of the electrolyte. To enhance the reversibility of the Li-metal anode (LMA), a promising approach has emerged involving the development of a novel liquid electrolyte comprising an ether solvent and LiFSI salt. Notably, this electrolyte formulation has achieved impressive Coulombic efficiency (CE) values surpassing 99.5%. Despite this progress, the underlying causes of Coulombic inefficiency (CI) and its connection with the formation of a solid-electrolyte interphase (SEI) on the Li metal surface remain inadequately understood.
Gaining fundamental insights into these essential processes occurring during continuous cycling of the LMA can provide valuable guidance for optimizing CE more effectively. This presentation focuses on recent advancements that systematically unravel the underlying chemistry and formation of SEI derived from FSI anions at the interface of the Li metal anode in contact with various liquid electrolytes. By employing a non-washing protocol and a Cu current collector, we successfully captured and identified crucial reaction intermediates from SEI chemistry, enabling precise determination of the decomposition pathway for FSI anions. Our discoveries unveil a dynamic scenario at the electrode/electrolyte interface, where these reaction byproducts can significantly dissolve into the liquid layer, and their relative solubility dictates their role in passivating the electrode surface. Furthermore, we demonstrate a strong correlation between faster interfacial passivation in higher-performing electrolytes and the reduced solubility of diverse inorganic species within the liquid electrolyte. These fresh insights into SEI chemistry and formation open new avenues for enhancing LMA performance by mitigating undesired side reactions at the interface.
(Invited) Metal Corrosion Mitigation in Fine Geometries during Chemical Mechanical Planarization
Authors: Tseng Wei-Tsu , Motoyama Emiko , Chu Pinlei , Malley Matthew , Canaperi Donald 
Published: August 2024

In the Si semiconductor industry, aggressive device geometry scaling has given rise to new processing challenges to each new technology nodes over the past 6 decades. When the feature size shrinks to nanometer regime, new phenomenon emerges whereby significant loss in metal vias and lines can be observed after CMP.
Findings from our previous studies suggest just a few nanometers of metal loss imposes serious yield loss in sub-5nm technology nodes MOL and BEOL metallization. Post CMP clean process can be responsible for ~ 50% of the metal loss after CMP. The phenomenon was observed with W, Co, and Cu alike. It affects conductors as well as liner/barrier metals, and exhibits strong dependence on pattern density, feature size, and even underlying layer. [1, 2]. Properly formulated slurries and post CMP clean chemicals can modulate the amount of metal loss and partially alleviate the issue.
In this study, we continue to assess how post CMP clean chemicals and modified de-ionized water can influence the amount of metal loss for Cu interconnects. As a starter, blanket wafers resembling several different Cu/liner/low-k stacks were evaluated. The were subjected to polish with the same alkaline slurry followed by various alkaline post clean chemicals (Clean 1, pH ~ 10.2; Clean 2, pH 9.8). It was observed on the attached figure that brush clean only process with DIW alone can induce small amount of Cu loss. For wafers with polish and post clean, on a comparison basis, Clean1 resulted in slightly more Cu loss than Clean2. However, when dilute NH4OH solution (pH ~ 9.6) was introduced to replace DIW during brush clean with Clean1, the amount of Cu loss is reduced, on par with that of Clean2. The observation suggests NH4OH-treated DIW can help alleviate part of Cu loss during post CMP clean process. Patterned wafers with various combination of liner stacks will be subjected to clean process with various combinations of chemistries and/or NH4OH-treated DIW. The amount of Cu or liner loss will be characterized.
References:
[1] R. Patllola et al., “Copper Metal Loss in Nanometer Fine Features during Chemical-mechanical Planarization”, ICPT (2022).
[2] W.-T. Tseng et al., “Nano-scale Metal Loss during Chemical-mechanical Planarization”, ICPT (2023).

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Electrochemical Cell Design and Operation for Copper Recovery from Chemical Mechanical Polishing Slurries
Authors: Landon James , Rassoolkhani Alan , Dunn Collin , Rentschler Jeffrey , Lippert Cameron , Caridi Adam T. , Keleher Jason J. 
Published: August 2024

Copper (Cu) removal from chemical mechanical polishing (CMP) waste is critical to maintaining discharge compliance with local municipalities and the Environmental Protection Agency (EPA). Typical treatment of this waste stream has followed two conventions: either coagulant-based precipitation or ion exchange (IX).1 Many industries use iron-based coagulants for metal removal from wastewater to meet discharge compliance. However, the process is often cumbersome, requires long settling times and significant chemical utilization, and results in a sludge stream that must be shipped and disposed of properly, eliminating the possibility for metal recovery. Since the concentrations for Cu removal from CMP waste streams is normally low (<100 ppm), IX has generally been the preferred treatment method. Nevertheless, IX also has some negatives associated with the process. Hydrogen peroxide can and will damage the IX media, resulting in premature replacement. The industry has dealt with this impact by employing one-time use media, but this adjustment means that media is only used once before being shipped offsite for regeneration. This results in operational impacts due to the need for oversight of media replacement and also eliminates the ability for Cu to be recovered at the originating process site.
In this talk, electrochemical methods to recover Cu from CMP wastewaters will be described. Electrochemical cell design and operation will be shown to provide Cu removal across wide ranges of concentration, and the depth of Cu separation (<2 ppm) and efficiency of the process will be discussed. The presence of hydrogen peroxide and its influence on the process will be evaluated. The removal and recovery of Cu will be shown in a complete cycle, demonstrating the ability to recover and reuse Cu directly at a process site. The impact of (1) pH, (2) chelator type, and (3) abrasive (SiO2) will also all be reviewed. Changes to the slurry, as analyzed pre- and post-electrochemical separation, will be characterized to determine possibilities for the reuse of the CMP slurry itself. Ultimately, the ability to design process systems using electrical input and minimal chemical additives to treat wastewater to municipal and EPA specifications while maximizing recycling efforts will be evaluated and presented.
References:

E. Speed, Environmental Aspects of Planarization Processes, S. Babu (Ed.), Advances in Chemical Mechanical Planarization (CMP), Woodhead Publishing, 229-269 (2016).

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Exploring a New, Scalable Synthesis Route to Disordered Rock Salt (DRX) Cathode Materials
Authors: Chambers Matthew S. , Self Ethan , Armstrong Beth L. , Keum Jong 
Published: August 2024

The global demand for lithium-ion batteries (LIBs) is ever-increasing as many nations seek to achieve a net carbon neutrality by the late 2030s. LiNi
x
Mn
y
Co1–x–y
O2, (NMC) is one of the most widely-used Li-ion cathode active materials. Despite its excellent performance (e.g., reversible capacities up to ~220 mA h g–1 and 500+ cycles), NMC contains both Ni and Co, which are expensive and have vulnerable supply chains. Li-excess disordered rock salt (DRX) materials are promising new cathode materials that utilize earth-abundant transition metals such as Mn and Ti. Through a combination of cationic and anionic charge compensation, DRX materials can attain specific energies ≥700 Wh kg–1. Doping F– into the DRX structure (Li1+x
Mn
y
Ti2–1–x–y
O2–z
F
z
) has been reported to improve the material’s cycling stability. Despite their promising properties, most DRX cathodes are prepared through solid-state synthesis routes which require high-energy milling, provide little-to-no control over the particle morphology, and are difficult to scale.
In this work, we developed a scalable combustion synthesis route (the glycine nitrate process) to produce high purity, high performance DRX cathodes. More specifically, we prepared two DRX precursors with nominal compositions of Li1.2Mn0.5Ti0.3O1.95 and Li1.2Mn0.7Ti0.1O1.85. When the precursors were heated under Ar to 1000 °C for 1 – 4 h, only 50% Li1.2Mn0.5Ti0.3O1.95 adopted a DRX structure, and no DRX formed for Li1.2Mn0.7Ti0.1O1.85. However, adding LiF to the precursors facilitates DRX phase formation during annealing and yields high purity DRX powders with the nominal compositions Li1.25Mn0.5Ti0.3O1.95F0.05 and Li1.35Mn0.7Ti0.1O1.85F0.15. In situ X-ray diffraction was employed to study the synthesis process, revealing DRX begins to form at just 600 °C, which is much lower than traditional solid-state routes. Furthermore, electrochemical tests on the Li1.35Mn0.7Ti0.1O1.85F0.15 cathode reveal these materials attain excellent performance with initial reversible capacities up to 215 mA h g–1 and stable cycling performance. These promising results demonstrate that combustion synthesis is a viable method for the scale-up of DRX materials.
This research was conducted at Oak Ridge National Laboratory, managed by UT Battelle, LLC, for the U.S. Department of Energy (DOE) and was sponsored by the Vehicle Technologies Office (VTO) under the Office of Energy Efficiency and Renewable Energy (EERE). Some measurements were conducted at the Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility.
(Invited) Design of Photoactive Inorganic Nanomaterials for Environmental Challenges
Authors: Moretti Elisa , Bordin Matteo , Liccardo Letizia , Lushaj Edlind 
Published: August 2024

Nowadays, one of the main technological challenges that we are facing is the ability to provide a sustainable supply of clean energy and, among all renewable sources, solar energy displays the greatest potential. Recently, the development of novel synthetic strategies has led to the preparation of nanostructured materials displaying unique properties compared to the bulk counterpart systems, with controlled and tunable morphologies able to enhance the activity and selectivity of a catalytic process. In particular, nanostructured materials synthesized via the bottom–up approach present an opportunity for future generation manufacturing of devices.
This talk will focus on the importance of tuning the morphological features of a catalyst as a strategy to improve its optical and photocatalytic properties, focusing on how rationally designing inorganic materials at the nanoscale can lead to morphologies and structures suitable to enhance the performance of industrially and environmentally important processes. The talk will discuss some environmental applications that can be addressed by photoactive multi-component oxide systems synthesized via the bottom–up approach, highlighting their structure-reactivity relationship. Water contamination, in particular, is one of the upfront issues to be solved and complex organic molecules and pharmaceuticals, including antibiotics, are gaining attention due to their abuse and their low degradability. Photocatalytic drugs degradation will be presented as a successful case history [1-3] to provide inspiration to produce cheap, environmentally friendly, stable, and efficient photocatalysts, which hold a great potential for the development of new technologies not only for water remediation applications but also for energy applications in the field of solar fuel production.
[1] E. Moretti, L. Storaro, A. Talon, P. Riello, A. Infantes Molina, E. Rodríguez-Castellón, Appl. Catal. B: Environmental 168 (2015) 385.
[2] M. Telkhozhayeva, B. Hirsch, R. Konar, E. Teblum, R. Lavi, M. Weitman, B. Malik, E. Moretti, G.D. Nessim, Appl. Catal. B: Environmental 318 (2022) 121872.
[3] L. Liccardo, M. Bordin, P.M. Sheverdyaeva, M. Belli, P. Moras, A. Vomiero, E. Moretti, Adv. Funct. Mater. 33 (2023) 2212486.
Improved Wide Temperature and Rate Performance in Li-Ion Batteries with Fluorinated Electrolyte Solvents
Authors: Usrey Monica Lee , Guillot Sarah Lucienne , Kerber Brian M , Du Peng , Zhou Liu (Amy) , Sriramulu Suresh 
Published: August 2024

Commercial electrolytes include organic solvents unable to withstand the conditions required for the rapidly growing Li-ion battery industry, such as extreme temperatures and charge rates. The thermal and electrochemical stability limits of these solvents restrict the development of Li-ion batteries needed to sustain automotive electrification and other industrial applications. Further efforts are needed to enable electrolyte formulations suited for the operational demands in the market.
Koura has designed a series of fluorinated materials for use in Li-ion electrolytes that demonstrate improved performance and safety over conventional commercial electrolytes. The impact of Koura’s fluorinated solvents on performance in 4.3V Gr/NMC811 was examined, with a particular focus on benefits seen on extreme temperature and rate performance. Testing included cycling and rate performance across a range of temperatures from -20 °C to 45 °C and cycling conditions from C/2 to 4C. It has been found that these materials improve low temperature performance and reduce gassing and increase capacity retention during high-temperature and fast charge cycling. Where appropriate, performance of Koura materials is compared to common commercial solvents.
To elucidate the mechanisms responsible for the observed improvements, comprehensive post-test analysis has been conducted, including gas composition analysis and quantification via gas chromatography, bulk electrolyte composition analysis via NMR spectroscopy, and surface layer characterization via XPS and SEM. Bulk transport properties of the materials and electrolytes, including conductivity, viscosity, and Li+ solvation, are correlated to performance benefits.
This presentation will show Koura’s efforts to fill a major gap in the demands of the Li-ion battery industry today through the design of fluorinated materials and optimization of advanced electrolyte formulations. Specifically, we will present data highlighting the performance of fluorinated compounds on improving battery performance under strenuous conditions with respect to both temperature and cycling rate. Results from fundamental mechanistic studies will be discussed to highlight the mechanisms underlying the observed performance improvements.
A Case of Inverted Crosstalk in High-Voltage Lithium-Ion Batteries with Carbonate-Based Electrolytes and LiNi0.5Mn1.5O4 Cathodes
Authors: Curcio Antonino , Walid Dachraoui , Dahl Øystein , Wagner Nils Peter , Battaglia Corsin , Kuehnel Ruben-Simon 
Published: August 2024

The deployment of spinel LiNi0.5Mn1.5O4 (LNMO) cathodes can be key to develop lithium-ion batteries (LIBs) with higher energy density and lower costs. However, the most common carbonate-based electrolytes for LIBs suffer from severe degradation at high potentials, potentially causing cell failure and safety hazards.[1,2] Therefore, investigating the degradation mechanisms in battery cells employing high-voltage battery cathodes such as LNMO is paramount. In this work [3], we studied the influence of linear carbonates on cycling and interfacial stability. Electrolytes consisting of LiPF6 dissolved in a mixture of cyclic (ethylene carbonate, EC), and linear carbonates (diethyl carbonate, DEC, or dimethyl carbonate, DMC), in a 3:7 EC:DEC/DMC weight ratio, were compared. Galvanostatic cycling and electrochemical impedance spectroscopy data of LNMO||Li cells indicate that the linear carbonate plays a fundamental role in cell failure. Specifically, cells with DEC-based electrolyte show early rollover failure, reaching 80% and 20% state of health at cycle 31 and 55, respectively. In contrast, cells with DMC-containing electrolyte have better stability, keeping 80% state of health until cycle 92, as shown in Figure 1. Three-electrode measurements and further characterizations, such as scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS), unveil that cell failure occurs due to instability of the cathode-electrolyte interface; when DEC-based electrolytes are used, a huge impedance build-up is correlated with the formation of a spotty deposit on LNMO particles. In contrast, these deposits are absent in cathodes cycled in the DMC-based electrolyte. These deposits can be explained as originating from electrolyte reduction products forming on the anode side as shown previously for layered oxide||Li cells.[4] Overall, this study provides an insightful discussion on an "inverted crosstalk", i.e., from anode to cathode, degradation mechanism. Importantly, improved cycling stability with DMC compared to DEC is also found for LNMO||graphite cells.
[1] V. Nilsson, S. Liu, C. Battaglia, R.-S. Kühnel, Electrochim. Acta 427, 2022, 140867.
[2] S. Liu, M. Becker, Y. Huang-Joos, H. Lai, G. Homann, R. Grissa, K. Egorov, F. Fu, C. Battaglia, R.-S. Kühnel, Batteries Supercaps 6, 2023, e202300220.
[3] A. Curcio, W. Dachraoui, Ø. Dahl, N. P. Wagner, C. Battaglia, R.-S. Kühnel, submitted.
[4] H.-J. Peng, C. Villevieille, S. Trabesinger, H. Wolf, K. Leitner, P. Novák, J. Power Sources 335, 2016, 91-97.

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The Impact of PTFE:PVDF Ratio on the Fabrication of Free-Standing Electrodes for Solvent-Free Dry Electrodes in Libs
Authors: Cha Jeong-Hwan , KIM Minjae , OH Eun-Suok , Jung Jung Min Chan , Gendensuren Bolormaa 
Published: August 2024

The current wet process of LIB electrode fabrication presents several challenges, including the use of the environmentally toxic and harmful N-methyl-2-pyrrolidone (NMP) solvent and non-uniform binder distribution due to the capillary force of the drying process. In addition, it is difficult to increase the thickness of the electrode and leads to relatively low-capacity electrodes. To address these issues, solvent-free dry electrode processes are promising. In the dry electrode process, binders play crucial roles in free-standing electrode formation. Fibrillization of Polytetrafluoroethylene(PTFE) occurs at a temperature of about 19 ℃, and the shear force of high temperature and high pressure helps to maintain the shape of the free-standing electrode.
In this study, we performed a comparative analysis through the physical blending of PTFE and PVDF polymer binders with different ratios. A variety of characterization tools are used to investigate the optimal ratio that ensures good cycle performance for high-loading cathode electrodes while maintaining free-standing electrodes: 180° peel test, sheet-resistance test, SAICAS, FE-SEM, and electrochemical performance tests

Keywords: Solvent-free, Dry electrode; electrode fabrication; PTFE polymer binder, Fibrillization, Lithium ion batteries

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