bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Invited) Artistic: An AI and Modeling-Supported Digital Infrastructure for Battery Manufacturing Optimization
Authors: Franco Alejandro A. 
Published: November 2022

Energy, power, lifetime and safety of Lithium ion batteries (LIBs) are determined in part by the internal microstructure of the electrodes. That microstructure is characterized by the spatial location and the resulting interfaces between the active material particles, the conductive additive, the binder and the pores. The microstructure is determined by the manufacturing process of the electrodes, which encompasses, in its traditional wet form, multiple steps and numerous parameters. Therefore, its optimization is difficult and can be time consuming and costly if carried out only on the basis of a trial and error approach.
In this lecture I discuss a digital infrastructure for accelerated optimization of the manufacturing process of LIBs that we are developing since few years: ARTISTIC.1 Such digital infrastructure is supported on a hybrid approach encompassing a physics-based multiscale modeling workflow, Artificial Intelligence (AI)/machine learning models and high throughput experimental characterizations.2 ARTISTIC simulates different steps along the battery cells manufacturing process, such as the electrode slurry preparation, the coating, the drying, the calendering and the electrolyte infiltration. For that purpose, it uses a combination of sequentially-coupled 3D-resolved physical models based on experimentally-validated Coarse Grained Molecular Dynamics, Discrete Element Method and Lattice Boltzmann Method. This allows predicting the impact of the manufacturing process parameters on the final electrode microstructure in three dimensions. The predicted electrode microstructures are then injected in a continuum performance simulator capturing the influence of the electrode microstructure on the solid electrolyte interphase formation (for anodes) and the electrochemical response (of anodes vs. lithium, cathodes vs. lithium and the full cells). Machine learning models are used to unravel manufacturing parameters interdependencies from the physical models’ predictions and experimental data, and to suggest manufacturing process optimizations. The predictive capabilities and chemistry-neutrality of the ARTISTIC digital infrastructure are illustrated with results for different LIB electrode formulations and chemistries (NMC, LFP, graphite, silicon/graphite blends) and also for organic active materials for sodium ion batteries. Finally, I discuss the free online battery manufacturing simulation services (online caculator and associated databases) offered by our project and that you can use interactively from your Internet Browser.3

References:

[1] ERC Consolidator Project ARTISTIC, grant agreement #772873 (
https://www.erc-artistic.eu/
).

[2] See our ARTISTIC-related publications here: https://www.erc-artistic.eu/scientific-production/publications .
[3] T. Lombardo, F. Caro, A. C. Ngandjong, J.B. Hoock, M. Duquesnoy, J.C. Delepine, A. Ponchelet, S. Doison, A.A. Franco, Batteries & Supercaps, 5(3) (2022) e202100324.

Figure 1
Single Step Electrochemical Recovery and Regeneration of Cathode Materials
Authors: Sederholm Jarom Glen , Patra Arghya , Braun Paul V. 
Published: November 2022

Sustainable battery production is a major challenge for the future of electrification. The rise in battery usage, particularly in portable electronics and electric vehicles, has led to a massive increase in the demand for critical battery materials. However, global supply has already begun to strain under the increased demand and projections predict that the global demand could easily surpass global supply in a matter of decades.
Current battery recycling and recovery techniques for battery components involve multistep regenerative processes through either pyrometallurgical, hydrometallurgical, or direct recycling methods route. Our work demonstrates for the first time, the dissolution and electrochemical deposition of transition metal oxides in the same solvent for sustainable battery material usage and recovery for slurry cast and electroplated Li-ion battery cathodes. Ultra-dense, high-performing, binder and additive free cathodes are formed at the end of the recycling process.
This discovery generates high quality energy dense battery cathodes from “end-of-life” batteries and paves the way towards a simplified recycling conditions for more sustainable battery production.
Direct-Recycling of LiFePO4 Cathodes from a Hybrid-Electric Bus Battery Via Chemical Relithiation
Authors: Ramirez-Meyers Katrina , Whitacre Jay 
Published: November 2022

Direct recycling of LiFePO4 (LFP) has environmental benefits as a battery waste management strategy, but its efficacy and scalability have yet to be fully understood. As the use of LFP is projected to grow significantly by 2030, it is essential to understand the factors affecting the performance of recycling processes and the quality of their products.
This work examines the effectiveness of chemical relithiation on LFP cells of various states-of-health. The work expands on statistical analyses and materials characterization of the cells that were previously presented.1,2 In the previous work, we conducted diagnostic experiments on cells ranging from healthy as-purchased cells to used cells with less than 20% of their initial capacity. The used cells are sampled from a retired hybrid-electric city bus battery pack comprising A123 1536 cells manufactured between 2009 and 2017. Characterization techniques included constant-current cycling, EIS, XRD, and SEM.
In this talk, we will discuss methods for direct-recycling LFP cathodes, such as the refunctionalization protocols designed by Ganter et al.3 We will summarize the dependency between various states-of-health and the yield and performance of directly recycled LFP cathode material. Correlations between the efficacy of direct recycling and battery diagnostic information (e.g., percent of initial capacity, direct-current internal resistance, alternating-current impedance, SEM, and XRD) are of particular interest. We will also discuss the implications of scaling up the chemical relithiation process and combining cathode material from cells of various states-of-health.

Ramirez-Meyers, K., Rawn, B. & Whitacre, J. (Invited) Statistical Distribution and Feasibility for Re-Use of A123 LiFePO4 Cells from a Hybrid-Bus Battery Pack. PRiME 2020 ECS ECSJ KECS Jt. Meet.
MA2020-02, (2020).

Ramirez-Meyers, K. & Whitacre, J. Characterization of Used A123 LiFePO4 Cells from a Hybrid-Bus Battery Pack. ECS Meet. Abstr. Vancouver, BC. (2022).

Ganter, M. J., Landi, B. J., Babbitt, C. W., Anctil, A. & Gaustad, G. Cathode refunctionalization as a lithium-ion battery recycling alternative. J. Power Sources
256, 274–280 (2014).
Chaotropic Anion-Based "Water-in-Salt" Electrolytes for Beyond Li-Ion Energy Storage Systems
Authors: Zafar Zahid Ali , Abbas Ghulam , Frank Otakar , Cervenka Jiri 
Published: November 2022

Electrochemical energy storage systems (EESS) with high energy density, safety, low cost, and low carbon footprint have become indispensable in the modern era of ubiquitous electronics, electric vehicles, and grid storage. Current EESS lack these characteristics due to the utilization of critical materials that are precious, flammable, difficult to recycle, and pose a threat to the environment. Whereas aqueous electrolytes offer higher safety and lower cost. Nevertheless, their biggest bottleneck is the narrow electrochemical stability window (ESW) that is preventing them from attaining higher energy and power densities in most of the aqueous EESS. For instance, multivalent metal-ion-based aqueous rechargeable batteries promise high energy density due to the multivalent redox chemistry of metal ions (Al3+, Zn2+, etc.) but they exhibit much lower energy density in real experiments due to the limited ESW of the aqueous electrolytes. The water-in-salt (WIS) electrolytes can potentially eliminate this barrier by offering a larger ESW. However, an anion’s nature, i.e., kosmotropic (water structure-maker) or chaotropic (water structure breaker) plays an important role in the expansion of the ESW in WiS-electrolytes. In general, the kosmotropic anions have a negative impact on the ESW by disturbing the solvation shell of the counter cations. On the other hand, chaotropic anions increase the ESW by limiting the fraction of free water in the electrolytes by pushing water molecules into the solvation shells of the cations.
We demonstrate WIS-electrolytes of metal-perchlorates (metal: Al, Zn, etc.) containing strong chaotropic anion (ClO4
-). As a result, the WiS-electrolytes of Zn- and Al-perchlorates demonstrate expanded ESW of 2.80 V and 4 V, respectively. The electrochemical tests of the electrolytes are performed using carbon-based redox-active electrode materials. We employ the new electrochemical systems in aqueous rechargeable multivalent dual-ion batteries, revealing superior performance to standard aqueous electrolytes. Our findings provide new possibilities for widening the ESW and enhancing the energy and power density in aqueous EESS, especially for grid storage applications.

A. Zafar, G. Abbas, K. Knizek, M. Silhavik, P. Kumar, P. Jiricek, J. Houdkova, O. Frank, J. Cervenka, Journal of Materials Chemistry A, 2022, 10, 2064-2074.

A. Zafar, G. Abbas, M. Silhavik, K. Knizek, O. Kaman, F. J. Sonia, P. Kumar, P. Jiricek, J. Houdková, O. Frank, J. Cervenka, Electrochimica Acta, 2022 404, 139754.
Direct Recycling and Upcycling of Spent Graphite Anodes
Authors: Liao Jinyun (Jared) , Park Andrew , Koel Bruce E. , Yang Xiaofang , Xiang Jerry , Yan Chao 
Published: November 2022

Lithium-ion batteries (LIBs) have emerged as the battery of choice for rapidly growing markets in electric vehicles (EVs) and energy storage devices. Thus, there is an enormous interest in the development of new technologies for recycling and recovery of valuable materials from secondary resources, such as those from used LIBs. Finding ways to decrease the cost of recycling could significantly reduce the life cycle cost of LIBs, avoid material shortages, lessen the environmental impact of new material production, and provide low-cost active materials for new LIB manufacturing. The recycling of spent LIBs has mainly been focused on the recycling of the cathode, while recycling of the graphite anode has only received limited attention due to its low value and complex recycling process. However, with the recent shortage of resources and the increase in production costs, recycling of the graphite anode from spent batteries can no longer be ignored. There are several challenges associated with recovering spent graphite anodes – mainly, there are a variety of metal impurities in addition to surface impurities from the solid electrolyte interface (SEI) and interior impurities that need to be removed. Conventional recycling methods are unable to solve this issue, especially for the purification process. Most current recycling systems use pyrometallurgical and/or hydrometallurgical methods, which necessitate multi-unit operations, high energy consumption, and high cost. Direct recycling, on the other hand, is a promising solution for overcoming the hurdles involved with recovering spent graphite anodes.
Princeton NuEnergy (PNE) has successfully developed a novel low-temperature plasma process to enable purification and direct repair of graphite anode materials from spent LIBs. We also demonstrated a simple but effective surface coating approach to upgrade the spent graphite to produce a graphite-silicon composite that has an improved energy density. Spent graphite is an ideal choice for low-cost production of high-performance silicon-graphite composites because treated spent graphite presents a porous structure that can be combined well with silicon and effectively relieve volume expansion. The recycled graphite and upcycled graphite-silicon composite anode materials outperform the commercially available equivalent materials. The direct recycling/upcycling of graphite anode materials will increase the commercial viability of LIBs and reduce battery cost, thus accelerating the electrification of transportation and large-scale energy storage for renewable energy in the near future. In this presentation, the materials characterization and electrochemical performance of recycled/upcycled anode materials will be discussed.
BEK and CY acknowledge support of this research by Princeton University under the Intellectual Property Accelerator Fund.
Graphitic Carbon Nitride/Carbon Nanotube Cathodes for Non-Aqueous Lithium-Oxygen Batteries
Authors: Divinagracia-Luzadas Maricor , Ocon Joey 
Published: November 2022

Although non–aqueous lithium–oxygen (Li–O2) batteries have been gaining attention in recent years for their potentially high energy density, their actual performances are still inferior to that of state–of–the–art Li–ion batteries. To overcome the high overvoltage, low rate capability, and poor cycle performance, the development of O2 electrode structures and electrocatalysts is of great importance. Herein, a graphitic carbon nitride/carbon nanotube composite (GCN/CNT) was synthesized using a facile annealing method and evaluated as a cathode for non–aqueous Li–O2 batteries, where CNT can provide storage sites for the reactants and products while facilitating electron transfer, and GCN can act as catalytic centers for oxygen reactions.
Due to its large surface area, high nitrogen content and synergistic coupling, GCN/CNT (18 wt.% GCN) demonstrated improved activity and stability towards ORR and OER (ΔE = 1.07 V), compared to pure CNT. Consequently, GCN/CNT exhibited lower overpotentials and better cycling stability when applied as a Li–O2 battery cathode. It delivered a specific discharge capacity of 3796 mAh g–1 at a current density of 100 mA g–1, and a relatively stable cycling performance of up to 35 cycles at a limited capacity of 1000 mAh g–1. Moreover, the reversible formation and decomposition of the Li2O2 product after cycling was confirmed in the characterization data (SEM images and XRD patterns). Hence, this GCN/CNT composite could be a promising cathode material in Li–O2 batteries.

Figure 1. ORR LSV curves of CNT, Pt/CNT, and GCN/CNT electrodes in an O2−saturated 0.1 M KOH electrolyte at a scan rate of 5 mV s−1 and rotation speed of 1600 rpm

Figure 1
Degradation Prevention of Latp Towards Li Metal and Interface Improvement By Layer-By-Layer Polymer Assembly Technique
Authors: Tolganbek Nurbol , Bakenov Zhumabay , Mentbayeva Almagul 
Published: November 2022

Abstract

Degradation of Li1.3Al0.3Ti1.7(PO4)3 (LATP), NASICON-types solid electrolyte (Figure 1) towards Li metal creates a dramatic issue, as materials itself is very promising due to its stability towards air and moisture and facile fabrication methods.
Figure 1. Illustration of Li1.3Al0.3Ti1.7(PO4)3 degradation towards Li metal
Solid electrolytes containing titanium, germanium suffer from reduction while contacting with Li metal. Reduction of Ti4+ to Ti3+ in LATP leads to a formation of mixed conductive interphase, a secondary phase that hinders lithium ion conduction between the solid electrolyte and electrode. In the majority cases, this problem can be solved by applying artificial interlayer that prevents the direct contact of these components. In addition, the protective interlayer also helps to reduce interfacial impedance that present between electrolyte and electrodes. In our research, we resolved it by applying thin composite gel polymer electrolyte (GPE) as interlayer using layer by layer (LbL) technique. Despite preventing the side reaction, the simultaneous coating on both sides of LATP pellets improved interfacial contact between cathode and electrolyte, anode and electrolyte. The effect of this modification was characterized by physical, chemical and electrochemical analyses.

Acknowledgement

This research was supported by the research grants #021220CRP0122 “Development of highly sensitive MOS based nano-film gas sensors” from Nazarbayev University.

Figure 1
(Digital Presentation) Size Effect on the Sensitivity of a Nano Temperature Sensor Based on Carbon Nanotubes
Authors: Ghomian Taher 
Published: November 2022

Nanosensors enable the development of small and portable devices capable of monitoring several parameters simultaneously. As such, carbon nanotubes (CNTs), which offer unique properties, play an essential role in realizing nanosensors. Since CNTs are sensitive to many parameters, the sensor's performance can be affected by the interaction of CNTs with surroundings. Accordingly, the size of the sensor is an important factor in determining its overall performance. In this study, we report the size effect on the temperature sensitivity of sensors based on single wall carbon nanotubes (SWCNTs) deposited on a sapphire substrate. Solution-processed fabrication method is utilized to fabricate temperature sensors. In this method, dielectrophoretic force is employed to trap SWCNTs in between gold nanoelectrodes patterned on a sapphire substrate using the standard photolithography method [1]. The size of the sensor is controlled by monitoring the conductance of the sensor, which is related to the number of SWCNTs trapped between gold nanoelectrodes during the trapping process. The results show that the smaller sensor provides higher sensitivity.
References
[1] T. Ghomian et al., "High‐Throughput Dielectrophoretic Trapping and Detection of DNA Origami," Advanced Materials Interfaces, vol. 8, no. 5, p. 2001476, 2021.
Fabrication of Laser-Induced 3D Porous Graphene Electrodes for High-Performance Textile Microsupercapacitors
Authors: Choi Hak-Jong , Lim Hyungjun , Ahn Junhyoung , Kim Geehong , Choi Kee-Bong , Lee JaeJong , Kwon Soongeun 
Published: November 2022

In recent decades, form factor of electronic devices is continuously evolving from flat device to curved and foldable devices to rollable devices. Electronic textile (E-textile) or electronic skin (E-skin) is attracting a lot of attention as one of the ultimate form factor devices. Many researchers have tried to change the form factor as E-textiles or E-skin for lots of electronics such as sensors, actuators, energy harvesting applications, displays, and even energy storage devices. Unlike devices such as displays and sensors that have practical applications, reliable energy storage devices in the form as E-textile and E-skin have not yet been for practical applications. Microsupercapacitors (MSCs) has received a lot of attention as power sources for wearable, textile or stretchable electronic devices due to their fast charging capability, long life cycle, and good safety. Most of electrode patterns for textile MSCs have been fabricated using inking based printing techniques such as screen printing, inkjet printing, and 3D printing. Although the ink printing techniques are considered to be compatible with large-scale production, the preparation of inks based on high performance namaterials requires a costly, time-consuming and complicated process including high temperature synthesis or dispersion in an toxic organic solvent. A robust textile MSC fabrication process with low cost, large-area, and high-performance is thus required
Laser-induced graphene (LIG), acquired by the direct laser synthesis of various types of carbon precursors, have widely investigated as electrode materials of MSCs with the advantages of 3D porous electrodes with hierarchical porosity, high crystallinity, and high surface area. However, these superior properties of LIG electrode were not adopted in textile energy storage devices yet.
In this work, LIG-based MSCs were fabricated by thermal transfer printing on textile. A LIG electrode directly laser-written on a PI film was transferred onto the adhesive film area of textile substrates during thermal transfer printing. The electrochemical performances of the as-fabricated textile LIG-MSCs were investigated. Especially, LIG-MSCs based on LIG-metal composite electrodes exhibit fast ion transport for high-rate performance with capacitive rectangular shapes at high scan rates of up to 20V/s, suggesting outstanding rate capability among graphene-based textile MSCs. Moreover, LIG-MSCs demonstrated the possibility of practical usage as textile energy storage devices such as cyclic stability, a waterproof property, and control of the working voltage or capacitance by series or parallel connection.
Elevated Dietary Carbohydrate and Glycemic Intake Associate with an Altered Oral Microbial Ecosystem in Two Large U.S. Cohorts
Authors: Monson Kelsey R. , Peters Brandilyn A. , Usyk Mykhaylo , Um Caroline Y. , Oberstein Paul E. , McCullough Marjorie L. , Purdue Mark P. , Freedman Neal D. , Hayes Richard B. , Ahn Jiyoung 
Published: November 2022

The human oral microbiome is associated with chronic diseases including cancer. However, our understanding of its relationship with diet is limited. We assessed the associations between carbohydrate and glycemic index (GI) with oral microbiome composition in 834 nondiabetic subjects from the NCI Prostate, Lung, Colorectal, and Ovarian Cancer Screening Trial and the American Cancer Society Cancer Prevention Study II cohorts. The oral microbiome was characterized using 16Sv3-4 rRNA sequencing from oral mouthwash samples. Daily carbohydrate and GI were assessed from food frequency questionnaires. We used linear regression, permutational multivariate ANOVA, and negative binomial Generalized Linear Models (GLM) to test associations of diet with α- and β-diversity and taxon abundance (adjusting for age, sex, cohort, body mass index, smoking, caloric intake, and alcohol). A q-value (FDR-adjusted P value) of &lt;0.05 was considered significant. Oral bacterial α-diversity trended higher in participants in the highest quintiles of carbohydrate intake, with marginally increased richness and Shannon diversity (Ptrend = 0.06 and 0.07). Greater carbohydrate intake was associated with greater abundance of class Fusobacteriia (q = 0.02) and genus Leptotrichia (q = 0.01) and with lesser abundance of an Actinomyces operational taxonomic unit (q = 4.7E-04). Higher GI was significantly related to greater abundance of genus Gemella (q = 0.001). This large, nationwide study provides evidence that diets high in carbohydrates and GI may influence the oral microbiome.Significance:Taxonomic differences at the highest intake quintiles may reflect diet-induced increases in carcinogenic bacteria and decreases in protective bacteria. Genus Leptotrichia has been implicated in cancer and inflammatory disease, while immunostimulatory genus Gemella may increase inflammatory disease risk. These differences further our understanding of possible mechanisms leading to oral and systemic disease.