bluuebunny/crossref_metadata_2025_split huggingface dataset:
Occurrences of per- and Polyfluoroalkyl Substances (PFAS) in the Environment and Their Oxidative Degradation By Modified Fenton Treatment
Authors: Walker Tasia 
Published: December 2024

Per- and polyfluoroalkyl substances (PFAS) are a class of synthetic chemicals that have become ubiquitous environmental contaminants due to their widespread use and extreme persistence. This research examines the remediation of PFAS, with a focus on oxidative degradation methods. PFAS are characterized by strong carbon-fluorine bonds that make them highly stable and resistant to degradation. They bioaccumulate in living organisms and have been linked to various adverse health effects, including liver damage, thyroid disruption, and developmental issues. Remediation approaches include adsorption, filtration, and advanced oxidation processes (AOPs). Fenton-based AOPs for PFAS degradation, particularly anodic Fenton treatment (AFT) and photo-assisted AFT (P-AAFT). AFT uses electrochemistry to generate hydroxyl radicals and regenerate ferrous ions, addressing limitations of classic Fenton treatment. P-AAFT incorporates UV irradiation to enhance radical production and PFAS degradation efficiency. Kinetic modeling of PFAS degradation is also evaluated, highlighting the importance of understanding reaction mechanisms and rates. The research seeks to advance understanding of PFAS degradation kinetics and mechanisms, potentially informing more effective remediation strategies for these persistent environmental contaminants.	Per- and polyfluoroalkyl substances (PFAS) are a class of synthetic chemicals that have become ubiquitous environmental contaminants due to their widespread use and extreme persistence. This literature review examines the occurrence, health impacts, regulation, and remediation of PFAS, with a focus on oxidative degradation methods. PFAS are characterized by strong carbon-fluorine bonds that make them highly stable and resistant to degradation. They bioaccumulate in living organisms and have been linked to various adverse health effects, including liver damage, thyroid disruption, and developmental issues. Remediation approaches include adsorption, filtration, and advanced oxidation processes (AOPs). Fenton-based AOPs for PFAS degradation, particularly anodic Fenton treatment (AFT) and photo-assisted AFT (P-AAFT). AFT uses electrochemistry to generate hydroxyl radicals and regenerate ferrous ions, addressing limitations of classic Fenton treatment. P-AAFT incorporates UV irradiation to enhance radical production and PFAS degradation efficiency. Kinetic modeling of PFAS degradation is also discussed, highlighting the importance of understanding reaction mechanisms and rates. The research seeks to advance understanding of PFAS degradation kinetics and mechanisms, potentially informing more effective remediation strategies for these persistent environmental contaminants.
Industry-Level Safety Enhancement of High-Energy Li-Ion Batteries Via Material-Level Surface Modification
Authors: Chang Shu Jui , Chen Hsi , Wu Nae-Lih (Nick) 
Published: December 2024

Developing high-energy-density lithium-ion batteries (LIBs) to meet the needs of electric vehicles (EVs) and sustainable energy storage applications brings more safety issues simultaneously.
On the anode side, graphite has the advantages of a high abundance and low lithiation electrochemical potential, which reduces the cost of LIBs and brings higher energy. However, graphite is vulnerable to the plating of metallic Li dendrite, which could easily arise from over-lithiation due to heterogeneity in the anode electrode or fast charging. Li dendritic deposits could penetrate through the separator to trigger cell short-circuit and eventually thermal runaway. On the cathode side, the Ni-rich layered oxide cathodes' high surface reactivity and low oxygen lattice stability lower the thermal stability. Moreover, it is easy to release oxygen during the charging and discharging, providing the negative electrode with abundant combustion accelerant and accelerating thermal runaway.
An effective and efficient strategy to mitigate the abovementioned problems is to apply an artificial solid-electrolyte-interphase (A-SEI) coating on both the anode and cathode to alleviate the surface-side reactions. This study focuses on enhancing the safety of LIB full cells by modifying the properties and stability of the SEI on the anode and cathode electrodes. A polymeric artificial SEI coating for the anode improves electrode performance and effectively suppresses native SEI and Lithium dendrite formation. Meanwhile, a composite coating for the cathode simultaneously enhances cycle stability and thermal stability due to the altered thermal decomposition pathway of an NCM811 cathode. In this study, we will explain the electrochemical performance of using artificial SEI and the prevention mechanism of thermal runaways and verify the high safety of the modified full cells through nail penetration testing.
Impact of Temperature on the Diffusion in Silicon-Based Anodes
Authors: Böhm Kevin , Markus Torsten , Henriques David 
Published: December 2024

Kems4Bats, established within the BMBF framework NanoMatFutur at Hochschule Mannheim, focuses on understanding heat and gas evolution in Li-ion batteries through advanced experimental methods. The group integrates thermodynamic data and new insights into phenomena like diffusion, solid electrolyte interface formation, aging from high-power charging, and thermal runaway. A state-of-the-art laboratory with cutting-edge equipment allows detailed study of materials properties affecting diffusion coefficients and heat and gas evolution, such as electrode composition and particle size. Key achievements include setting up a battery production line and developing a novel device, KEMS (Knudsen-Effusion Mass-Spectrometry), for vapor pressure measurements, enhancing battery safety and performance.
Building on the experimental capabilities and insights gained by the Kems4Bats group, our research also zeroes in on specific materials that hold promise for enhancing battery performance. Among these, silicon stands out due to its high theoretical capacity, making it an ideal candidate for the next generation of anode materials in lithium-ion batteries. However, despite its potential, certain thermodynamic properties of silicon remain inadequately explored, notably diffusion. Diffusion is crucial as it facilitates the transport of ions to the active material's surface, essential for lithiation. This process is influenced by various factors including the state of charge (SOC) and cell temperature.
This study explores the impact of temperature on the diffusion coefficient of self-made silicon anodes, composed of nanoparticles mixed with carbon black. The weight ratio between the anode components is 45/45/10 (Si/CB/CMC). PAT-Cells are used to assemble half-cells with a lithium-counter electrode. The half-cells, organized into four groups of at least three cells each, are examined at different temperatures (15°C, 25°C, 40°C, and 60°C) post-formation. The diffusion coefficient is determined via the galvanostatic incremental titration technique (GITT). Furthermore, incremental capacity analysis (ICA) is conducted to determine the impact of phase changes in the active material on the coefficient and to show the impact of temperature on the anodes' capacity.
In summary, our investigation provides crucial insights into the temperature-dependent behavior of the diffusion coefficient in silicon anodes, a key component for enhancing lithium-ion battery performance. By analyzing the effects of temperature on both the diffusion process and phase changes within silicon-carbon black composite anodes, this study underscores the significant influence of thermal conditions on the efficiency and capacity of next-generation battery technologies. These findings not only contribute to a deeper understanding of silicon anodes' operational dynamics but also highlight the critical role of temperature management in optimizing lithium-ion battery performance.
Fluoroalcohol Additives That Modify the Nature of Solid Electrolyte Interphase and Cathode Electrolyte Interphase Selected By Machine Learning Approach
Authors: Nakamoto Mitsunori , Umezu Satoshi , Kumita Hideyuki 
Published: December 2024

Inclusion of silicon materials to the negative electrode is seen as a promising approach to realize high-capacity lithium-ion batteries. However, the cycle life of such batteries including silicon materials is limited. The importance of controlling the solid-electrolyte interphase (SEI) has been pointed out for the extended battery life. It has been reported that fluoroethylene carbonate (FEC) and vinylene carbonate (VC) extend the battery life by modifying the nature of SEI. Still, it is difficult to satisfy multiple requirements for commercial batteries (like storage stability and low resistance) with a single additive. Therefore, it is important to expand the options of additive species and to optimize the combination of additives.
In this study, a cell consisting of a Si/graphite composite negative electrode is considered, and we explored potential additive candidates that extend the battery life. Candidate additive molecules were selected by machine learning approach, where machine leant models was used for a screening withing a framework of Bayesian optimization that predict a capacity retention rate at a particular cycle be means of the molecular descriptors. In particular, we report a fluoroalcohol material, hexafluoroisopropanol (HFIP) as an additive that improves the cycle performance. Conventionally, the introduction of an alcohol material into the electrolyte has been regarded to promote the generation of hydrogen fluoride (HF) and result in the degradation of cell components such as electrolytes. However, our work found out that such degradation is suppressed when HFIP is included (Figure 1). To study electrochemical and chemical properties of the cell with HFIP, NCA||Si/graphite composite cells were fabricated, and cycle tests were carried out. Afterwards, the cells were dismantled, then the surface of positive and negative electrodes were investigated by XPS. Further characterization was conducted by NMR on the extracted electrolyte and the SEI rinsed individually from positive and negative electrodes. In this presentation, we report the relationship between (1) the chemical aspects of the electrolyte and SEI, and (2) the battery performance, and discuss the key factors that contribute to the improved cycle performance.

Figure 1
Bi-Dimensional PTFE Fibrillation Process Implemented in Solvent-Free Manufacturing of Ultra Thick Electrodes for Lithium-Ion Batteries
Authors: Shim Hyeong-Seok , Lee Sang Hyun , Lee Kwon-Hyung , Song Gyujin , Kim Tae-Hee 
Published: December 2024

A method for manufacturing electrodes via a solvent-free dry process can dramatically increase the energy density of lithium-ion batteries (LIBs) without the use of toxic organic solvents. This innovative approach is a strong candidate for advanced battery technologies due to its environmental benefits and cost savings. However, ultra thick electrode required to achieve high energy density significantly intensifies the migration resistance (Rion) and charge transfer resistance (Rct) by longer diffusion length of lithium ions and electrons.
The fundamental solution proposed to solve this problem is to increase the conductive additives content to form the enhanced electronic conductivity networks. However, the higher the content of conductive additives in the electrode composition, the more binder is required. If the binder content is insufficient, the increased contact area and excessive agglomeration due to the high specific surface area of the conductive additives will result in reduced interparticle cohesion and uneven packing density. This hinders the formation of a continuous fiber matrix in the PTFE fibrillation process and consequently weakens the mechanical properties of the electrode.
In this study, the proposed bi-dimensional PTFE fibrillation process can be effectively utilized to form a uniform and efficient fiber matrix within electrodes, even at high conductive additives content (≥5 wt%) and low binder content (≤1 wt%). This process enables the electrodes to be stored and transported in roll form and preserves the structural integrity of the electrodes during mass production. Moreover, the high and uniform conductivity of the manufactured electrodes prevents significant increases in resistance, even with increased electrode thickness, thus enhancing the electrochemical performance of high energy density LIBs.
Plating Behavior and Charge Transfer Kinetics of the Amorphous-LLZO Modified Solid Electrolyte for Lithium Solid State Batteries
Authors: Kuo Rui-Tung , Lin Tzu-Ying 
Published: December 2024

Charge-transfer kinetics between electrodes and electrolytes critically influence the stability of lithium solid-state batteries. Garnet-type Ta-doped Li7La3Zr2O12 (LLZTO) boasts a high ionic conductivity (up to 3 × 10–4 S cm–1) at room temperature and shows good stability with the lithium metal. To enhance the durability and overall performance of lithium solid-state batteries, the manipulation of lithium growth morphology during charge and discharge cycles emerges as a critical factor. Although numerous researchers have dedicated efforts to establishing better electrode-electrolyte adhesion, scant attention has been directed toward investigating the charge transfer kinetics amidst the morphological changes during lithium stripping and plating. Additionally, there is a lack of direct evidence supporting the modification of the electrode-electrolyte interface to enhance stripping-plating behavior.
This study undertook to fabricate metal electrodes by thermal evaporation and magnetron sputtering techniques onto LLZTO pellets. The subsequent analyses encompassing in-situ scanning electron microscopy (SEM) and electrochemical impedance spectroscopy (EIS) facilitated the real-time monitoring of these morphological and internal variations. In addition, we further manage to enhance the interface between electrode and electrolyte with amorphous Li7La3Zr2O12 (a-LLZO) thin film. The a-LLZO film was employed to impede the formation of lithium dendrites and possible current leakage under external energy applied. Since lithium ions are prone to transfer within grain boundaries, the amorphous thin films show great potential to be the solution. The potentiostatic and galvanostatic tests could further investigate the critical conditions for a-LLZO to protect the interface.
These findings have significant implications as they not only improve our understanding of the electroplating dynamics within lithium batteries but also represent a tangible advancement with thin-film materials. In essence, this work has the potential to significantly boost the development of lithium-based thin-film batteries to new heights.
Facile Characterization of the Lithium Metal/Electrolyte Interface through Nonlinear Electrochemical Impedance Spectroscopy
Authors: Lee Rose Yesl , Liu Jun , Schwartz Daniel T. 
Published: December 2024

Next-generation lithium metal batteries have demonstrated the high energy densities necessary for electric vehicles and thus have the potential to enable the widespread electrification of transportation.1 However, mass adaptation of lithium metal batteries is challenged by the unsatisfactory cycle life resulting from the lack of electrolytes compatible with the highly reactive lithium metal surface. The uncontrolled interactions between the lithium anode and the electrolyte results in the continuous depletion of both participants and/or the formation of electrically isolated lithium, which ultimately reduces the cycle life. While progress in electrolyte engineering offers hints on the role of the electrolyte in essential battery processes (eg., the formation of a stable solid-electrolyte interphase layer and favorable deposited lithium morphologies), further improvements in lithium metal batteries necessitates a deeper understanding of the lithium metal/electrolyte interface.
The performance of lithium metal battery electrolytes is often gauged by the ratio between the discharge and charge capacities, or the Coulombic efficiency (CE). An electrolyte with a high CE indicates that the discharge and charge capacities were nearly equal, or that very little lithium was lost to undesirable side processes during cycling. A typical CE experiment, such as the popular Aurbach method, involves several cycles of plating and stripping a lithium reservoir from a copper substrate at one current density.2 With hundreds of cycles, a single CE test can be time-consuming, presenting a bottleneck in electrolyte research.
Here, we integrate nonlinear electrochemical impedance spectroscopy (NLEIS) into a modified Aurbach method to evaluate the evolution of the lithium metal/electrolyte interface with cycling and detect earlier signs of lower CE electrolytes. With the same instrumentation as its linear counterpart, NLEIS utilizes a moderate AC current amplitude to elicit a weakly nonlinear voltage response that is sensitive to kinetic, transport, and thermodynamic processes. Notably, the second harmonic voltage response is formed by the differences between the battery electrodes, making NLEIS a powerful diagnostic tool for detecting subtle changes.3,4 This work introduces a methodology that could enable faster characterization of lithium metal electrolytes, yet opens the path for more in-depth kinetic studies.

G. M. Hobold et al., Nat. Energy, 6, 951–960 (2021).

B. D. Adams, J. Zheng, X. Ren, W. Xu, and J. G. Zhang, Adv. Energy Mater., 8, 1–11 (2018).

Y. Ji and D. T. Schwartz, J. Electrochem. Soc., 170, 123511 (2023).

4. Y. Ji and D. T. Schwartz, J. Electrochem. Soc., 171, 023504 (2024).

Figure 1
Surface Engineering of LiNi0.8Co0.1Mn0.1O2 By Ultrathin Al2O3 Via Atomic Layer Deposition
Authors: Byun Changwoo , Choi Yeongtae , KIM hee-Soo , Shin Seokyoon 
Published: December 2024

Nickel-rich Li(NixCoyMn1-x-y)O2 (NCM) is considered one of the most promising cathode materials for next-generation high-energy lithium-ion batteries (LIBs). However, nickel-rich NCM suffers from short battery lifespan, poor rate performance, and structural instability during cycling due to side reactions between the cathode material and the electrolyte. To overcome the aforementioned problems, coating the surface of nickel-rich NCM powders is an efficient and straightforward strategy. In recent years, atomic layer deposition (ALD) has been gaining attention for its utility in preparing LIB electrode materials. Compared to traditional coating methods, ALD can form uniform and ultrathin coating layers, which protect the cathode from reactions with the electrolyte while maintaining electrical conductivity and fast electron transport. More importantly, this process is energy-efficient, rapid (taking only a few minutes), and does not damage the electrode. Nevertheless, attempts to directly deposit ALD coatings onto nickel-rich NCM composite electrodes to enhance the electrochemical performance of NCM have not been widely reported.
This study provides an efficient technique based on ALD to enhance the electrochemical performance of Ni-rich NCM cathode materials. The surface of the Li(Ni0.8Co0.1Mn0.1)O2 (NCM811) composite electrode was directly coated with a high-quality ultrathin layer of aluminum oxide (Al2O3). The thickness of the coating layer was precisely controlled at the sub-nanometer scale by the number of ALD cycles. It could protect the surface of the active NCM811 powder and maintain interparticle electron pathways, thereby enhancing electrochemical performance. The optimal thickness of the Al2O3 coating for maximizing the electrochemical performance of NCM811 was grown via 10 ALD cycles. The ALD-based ultrathin Al2O3 coating on the NCM811 was performed using a rotary ALD system. The morphology of the samples was confirmed using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Energy-dispersive X-ray spectroscopy (EDS) elemental mapping was collected in scanning transmission electron microscopy (STEM) mode. X-ray diffraction (XRD) patterns were collected using X-ray powder diffraction equipment. The chemical composition of the coating was analyzed using X-ray photoelectron spectroscopy (XPS) with Al Kα radiation. Cell testing was conducted using a coin-type half-cell with lithium metal as the anode.
Fabrications of Graphene Oxide and Silver Nanowire Hybrid Nanocomposites for Li-Metal Anodes with Dendrite Suppression
Authors: Won Sojeong , Yeom Bongjun 
Published: December 2024

Lithium (Li) metal is the most promising anode material for Li-metal batteries due to its high theoretical capacity (3,860 mAh g-1) and low electrochemical potential (-3.04 V vs. the standard hydrogen electrode). However, many of previously studies for Li-metal batteries utilized a relatively thick ~ 50 μm Li metal foils, which lowers overall energy densities of the cells. Therefore, there have been growing research to reduce the thickness of the Li-metal anode to improve the energy density of batteries. Typical anode current collector of a copper foil show low affinity of Li metals with great initial deposition overpotentials when Li-metals are eletrodeposited. Such lithiophobicity accelerate the problems of Li dendritic growth with reduction in cycle life, which has been critical problems in practical applications of pristine Cu current collectors for Li-metal batteries. Therefore, various types of surface modification methods have been reported so far, such as coatings of carbon materials such as GO or metal-based materials such as Ag, Au. However, only carbon or metal modifications have been suffering from the relatively low lithiophilicity of the carbons and pulverizations of metals during cyclings by alloying and dealloying with Li-metals, respectively. Carbon and metal hybrid composites were also studied to mitigate these problems, but there still large rooms for further improvements showing unstable cycle performances at high C-rates.
Herein, we report the fabrication of lithiophilic graphene oxide (GO) and silver nanowire (AgNW) nanocomposite anodes by Layer-by-Layer (LbL) assembly methods for uniform Li depositions. GO provides a fast Li ion movement channel with high ionic conductivity, and AgNW shows low nucleation overpotential behavior due to the formation of an alloy with Li. Therefore, we alternately stack these two materials using the LbL assembly method to induce a synergistic effect of their advantages. The resulting GO and AgNW nanocomposite films show uniformly deposited morphology after Li depositions and low nucleation overpotential compared to copper foils when pre-deposited at capacity of 4 mAh cm-2. The symmetric cells with the GO-AgNW composite electrodes with 4 mAh cm-2 of Li pre-depositions show stable behavior for 400 cycles with an overpotential of 10 mV at 1 mA cm-2 and 1 mAh cm-2. In addition, the full cells using LFP cathode materials operate more than 400 cycles at 1 C-rate and 200 cycles even at high 3 C-rate, showing longer cycle life and capacity retention than copper foil. These LbL self-assembled anodes provides a facile route to prepare lithiophillic anode coatings that can be advantageous for the preparations of high energy density Li-metal batteries.