bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advanced Alkaline Amine Fuel Cell Development
Authors: Rose Jackson , Shurtleff Kevin 
Published: August 2024

Today, perhaps the most pressing issue is that of power generation. It is important that a source which is inexpensive, reliable, efficient, sustainable, and carbon free be developed and implemented. The hydrogen fuel cell is one possibility. Fuel cells meet many of the requirements listed above save one, current designs are expensive. The catalysts used in most modern hydrogen fuel cells are often platinum group metals, which significantly increases the cost of manufacturing. The high price has proved a significant barrier to adoption.
Alkaline fuel cells are comparatively cheap as the catalysts are inexpensive, but they suffer from reliability issues. For one, they form carbonates, which are produced when carbon dioxide reacts with the potassium hydroxide electrolyte. Carbonates build up on the catalytic sites, rendering the fuel cell inoperable. With this project, the chemistry is being manipulated to eliminate this failure. The standard electrolyte is being replaced with an organic amine. Carbonates are soluble in amines and will not precipitate out of solution. This will prevent the buildup and may clean catalytic sites.
This project is also testing low-cost production processes. We are using electrochemical synthesis methods to deposit nickel and silver onto carbon cloth to build the fuel cell electrodes. These are then characterized via SEM, EDAX, and x-ray fluorescence. The purpose of this is to establish what size of particles will afford the maximum catalytic activity. Optimizing particle size will help to improve efficiency and reduce costs. Prototypes will be built to identify the best amine and catalyst samples. By the end of 2024, the first cell will be built and tested. Next year, a full-scale alkaline amine fuel cell system will be built. It will be tested as a twelve-volt system for current density, lifetime and total costs.
Bismuth Film Electrodes: Characterization and Analytical Application
Authors: Chávez-Vera Sara , García-Bassoco David , Frontana-Uribe Bernardo Antonio 
Published: August 2024

Bismuth film electrodes (BiFE) were first introduced more than two decades ago and have been regarded as a posible alternative to toxic traditional mercury electrodes, both for electro-synthesis and electro-analytical endeavors. However, despite all the associated benefits, there hasn’t been a proper characterization reported for this electrodes and their use is still limited.
The present work shows the results of a physicochemical characterization of Bismuth film electrodes, as well as the application of BiFE for the detection and quantification of heavy metals (such as cadmium), which for years have been considered to be important pollutants and are toxic for humans and the environment at large; there for putting at risk the health of all organisms that come into contact with them. The analysis is carried out in a EtOH:H2O mixture at pH 5, simulating the matrix of a traditional mexican alcoholic beverage, Mezcal.
The characterization includes: the calculation of the geometric area as well as the electro-active area of the electrode, the composition of the deposited film and it’s texture, and the electrical properties of the modified electrode.
The analysis is carried out using Anodic Stripping Square Wave Voltammetry (ASSWV), this allows us to make use of the electrode’s ability to form strong interactions with the analyte, in a similar manner to that of mercury drop electrodes; along with the high sensitivity of this technique.
Computational and Experimental Investigations of the Au and NiOOH Interface in the Oxygen Evolution Reaction
Authors: Guan Ginzu , Adelstein Nicole , Qiu Jingjing 
Published: August 2024

The transition to renewable energy sources is crucial for combating climate change, and hydrogen (H2) is a promising clean fuel. Electrolysis of water, specifically the oxygen evolution reaction (OER), is a key process for producing H2. Prior experimental results have shown that gold (Au) could improve the apparent activities of the OER electrocatalysts such as nickel hydroxide (Ni(OH)2) in alkaline electrolytes.1-3 However, the detailed interfacial atomic structure and mechanisms of the increased catalytic activity remain poorly understood.
To understand the interfacial effect between Au and Ni(OH)2 in the OER process, our research uses the model system of Au nanoparticles (NPs) and nickel oxyhydroxide (NiOOH), which is the active phase of Ni(OH)2 layers in the OER, to investigate their interfacial interactions with both experimental and computational approaches. We hypothesize that the Au NPs on NiOOH enhances the OER activity by promoting electron transfer at the interface. Our studies involve computational analysis using Density Functional Theory (DFT) calculations to obtain the local density of states (LDOS), which can help us better visualize and compare the local electronic structure of NiOOH in the presence and in the absence of AuNPs. Two architectures of the Au and NiOOH interface will be investigated: Au NPs on a NiOOH film and NiOOH NPs on a Au film.Additionally, Bader analysis is employed to determine the Bader charge, offering a more detailed understanding of how electrons are distributed across the AuNPs/NiOOH interface. Furthermore, the catalytic efficacy of AuNPs on NiOOH is assessed through electrodepositions followed by cyclic voltammetry(CV) measurements. The experimental and computational results will be directly compared, and this research is expected to contribute to the insights of substrate and catalyst interactions for design of more efficient electrocatalysts.
References:
(1) Yeo, B. S.; Bell, A. T. Enhanced Activity of Gold-Supported Cobalt Oxide for the Electrochemical Evolution of Oxygen. J. Am. Chem. Soc.
2011, 133(14), 5587–5593.
(2) Strickler, A. L.; Escudero-Escribano, M.; Jaramillo, T. F. Core-Shell Au@Metal-Oxide Nanoparticle Electrocatalysts for Enhanced Oxygen Evolution. Nano Lett.
2017, 17(10), 6040-6046.
(3) Chakthranont, P.; Kibsgaard, J.; Gallo, A.; Park, J.; Mitani, M.; Sokaras, D.; Kroll, T.; Sinclair, R.; Mogensen, M. B.; Jaramillo, T. F. Effects of Gold Substrates on the Intrinsic and Extrinsic Activity of High-Loading Nickel-Based Oxyhydroxide Oxygen Evolution Catalysts. ACS Catal.
2017, 7(8), 5399– 5409.
Incorporating Electrochemistry and Battery Technology in an Undergraduate Materials Science Course
Authors: Saqib Najmus 
Published: August 2024

Electrochemical devices and systems are ubiquitous in many engineering disciplines, yet basic electrochemistry principles are rarely covered in the typical undergraduate engineering curriculum. This presents a barrier for young engineers aspiring to make contributions to this fast-growing field, as well as primary investigators in electrochemical engineering at undergraduate-only institutions. In the field of mechanical engineering, one of the oldest and arguably the broadest engineering disciplines, energy storage and conversion are covered in depth at the undergraduate level. However, electrochemical energy storage and conversion are only briefly glanced, if at all. As part of curriculum development in a new undergraduate mechanical engineering program, electrochemistry fundamentals, with a focus on applications to battery technology, were deliberately incorporated into a second-year materials science course.
Undergraduate materials science courses typically focus on general process-structure-property relationships of different engineering materials, and this course is no different. Instead of covering only traditional materials, significant time is also devoted to battery materials, which are very relevant and poised for exponential growth in this era of electric vehicles and renewable energy storage. The course includes instruction on basic electrochemical principles, a survey of functional materials used in common electrochemical devices and their properties, as well as a short lab project where students are guided through the steps of constructing a simple coin-cell lithium-ion battery, arguably the most dominant of all battery chemistries. Classroom discussion also includes the environmental impacts of sourcing raw battery materials and end-of-life disposal practices, which, given current projections, will lead to a substantial sustainability problem as the battery market grows with electric vehicle uptake. Emerging battery technologies that seek to address the challenges of the current generation of batteries are also introduced. Students are also asked to give a short presentation after researching additional topics in the field that are of interest to them. Overall, the course aims to help modernize the undergraduate mechanical engineering curriculum by incorporating electrochemistry principles and battery technology into a core course.
A Green Slurry Electrolysis to Recover Valuable Metals from Waste Printed Circuit Board (WPCB) in Recyclable pH-Neutral Ethylene Glycol
Authors: Lam Jason Chun-Ho 
Published: August 2024

The continuous growth of e-waste necessitates an efficient method to recover their metal contents to improve their recycling rate. The successful recovery of the metallic component from Waste Electrical and Electronic Equipment (WEEE) can generate great economic benefits to incentivize the industrial recycling effort. In this study, we report the use of slurry electrolysis (SE) in pH-neutral ethylene glycol (EG) electrolyte to extract and recover the metallic component from waste printed circuit broad (WPCB) powder. The system operates at room temperature and atmospheric pressure, and the electrolyte can be recycled multiple times with no signs of chemical degradation. The EG electrolyte system can oxidize the metallic component without triggering anodic gas evolution, which allowed us to incorporate a reticulated vitreous carbon (RVC) foam anode to maximize the capture and oxidation of the metal content. The system demonstrated up to 99.1% Faraday efficiency for the cathodic metal deposition and could recover Cu from the WPCB powder in a selective manner of 59.7% in the presence of 12 other metals. The SE reaction system was also scalable and displayed no compromises on the Cu recovery selectivity. With the ability to leach and recover metallic content from WPCB in a mild and chemically benign condition, the SE system displayed much promise to be adapted for industrial-scale metal recovery from WPCB.

Reference

Liu, K., Lam, JCH. et al. "A green slurry electrolysis to recover valuable metals from waste printed circuit board (WPCB) in recyclable pH-neutral ethylene glycol." J. Hazard. Mater.
2022433: 128702.
Liu, K., Lam, JCH. et al. "Teaching Electrometallurgical Recycling of Metals from Waste Printed Circuit Boards via Slurry Electrolysis Using Benign Chemicals." J. Chem. Educ.
2023 100(2): 782-790.

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(Invited) Recycling of Perfluorosulfonic-Acid Polymers, into Commercial Viable Second-Use Applications
Authors: Grot Stephen Andreas 
Published: August 2024

This presentation will describe our efforts to commercialize our technology to re-deploy spent perfluorosulfonic acid (PFSA) polymer materials from end-of-life Hydrogen Economy energy conversion systems into second-use applications.
The challenge in any recycling effort for the PFSA materials is to find a marketable application for the recovered polymer. This is in stark contrast to the situation for the precious group metals; where any recycling/recovery effort for PGM materials can be quickly and easily brought back to the market and converted to cash. This is why so much of the current end-of-life PGM bearing scrap is currently incinerated in order to recover the PGM value only. We will report on the development of several applications from polymer that we have purified and recovered from end-of-life Hydrogen Economy systems.
Ultrasound-Assisted Recovery of Cathode Active Materials Using Green Solvents: A Comparative Study
Authors: Shin Hosop , Bhuyan Sajibul Alam , Rahman Mazedur , Hoq Mahmudul 
Published: August 2024

The widespread adoption of lithium-ion batteries (LIBs) in various applications has led to an increasing demand for efficient and environmentally sustainable recycling processes. This necessity stems from the broader goal of establishing a sustainable and circular economy for LIBs while simultaneously addressing the challenges within the supply chain.
One of the primary challenges in LIB recycling lies in the retrieval of valuable materials from end-of-life LIBs or electrode scraps in an environmentally benign manner. In particular, reclaiming the high purity of cathode active materials is a critical step to further development of direct recycling. The recovered materials need to be binder- and carbon black-free while retaining their inherent characteristics, including morphology, crystallinity, and electrochemical activity.
Traditional methods for solvent-based cathode recovery involve energy-intensive processes and often employ hazardous solvents, leading to environmental concerns and safety issues. In response, recent studies have proposed several green solvents as environmentally friendly and economically viable alternatives for sustainable cathode recovery processes.
In this study, we conduct a comprehensive comparative analysis of various green solvents to assess their efficiency in recovering cathode materials from electrode scraps. We employ an ultrasound-assisted recovery process using different green solvents to compare the characteristics of the recovered cathode active materials in terms of morphology, purity, surface characteristics, and electrochemical performance. By evaluating the key challenges and advantages of each green solvent, we aim to provide valuable insights into the development of solvent-based cathode recovery.
(Battery Student Slam 8 Award Winner) Multi-Clustered Lithium Diffusion in Single-Crystalline NMC Battery Particles
Authors: Lee Danwon , Nam Chihyun , Kim Juwon , Koo Bonho , Hyun Hyejeong , Chung Jinkyu , Seo Sungjae , Song Munsoo , Song Jaejung , Alsem Daan , Salmon Norman , Lee Suyong , Kim Namdong , Shapiro David , Lim Jongwoo 
Published: August 2024

Understanding the diffusion dynamics of lithium within solid-state electrodes is pivotal for developing high-performance batteries. In this context, layered oxides were utilized as a promising cathode material due to their high energy density and fast intraparticle lithium diffusivity. Despite advancements in material composition, coating, and doping, the understanding of intraparticle lithium diffusion has long been described by Fick's law. Conventionally, lithium diffusion is assumed to generate a monotonic lithium concentration gradient within solid-solution single-crystalline battery materials during cycling. This raises fundamental questions about diffusion in layered oxides; (1) Can the diffusion of Li in solids be interpreted as Fickian diffusion, similar to diffusion in gases or liquids, even though it involves structural and phase evolution throughout the battery cycle? and, (2) Does the fast diffusivity (10-11-10-9 cm2/s) support the homogenization of Li?
In this study, we address these questions surrounding lithium diffusion in layered oxide by utilizing operando scanning transmission X-ray microscopy. We revealed the formation of mobile Li-dense/-dilute nano-domains within individual single-crystalline LiNi1/3Mn1/3Co1/3O2 (scNMC) during battery cycles. We term this phenomenon ‘multi-clustered lithium diffusion’, distinguishing our findings from the conventionally suggested Fickian diffusion model in solid-solution materials. These domains persist for at least 4 hours during relaxation, accompanied by locally residing strained domains, as confirmed by Bragg coherent diffraction imaging (BCDI), within a single particle. We believe these domains arise due to the compensation of localized chemical potential gradients that are generated by the sustained presence of strain within the battery particles during cycling.
While maintaining integrity of Li-dense/-dilute domain at various C-rates, STXM result further show that Li-dilute domains maintain during the discharging. Given the lower concentration of Li at insertion boundaries, which could lower the surface charge transfer impedance of the system, Li-dilute domains facilitate lithium transport by functioning as low-resistance pathways. Through a comprehensive analysis of electrical impedance spectroscopy (EIS), STXM imaging and finite element analysis (FEA), we showed that controlling the local domain fraction is crucial for controlling the overpotential during subsequent charging. Our study introduces new insights into nanoscale solid-state diffusion, thereby enabling the fabrication of high-performance batteries.

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(Invited) Towards an Expanded Palette of Materials and Mechanisms for Neuromorphic Computing
Authors: Banerjee Sarbajit 
Published: August 2024

The metal-insulator transitions of electron correlated transition metal oxides provide an attractive vector for achieving large conductance switching with minimal energy dissipation. However, given the sparse and disconnected current knowledge of neuromorphic materials, a fundamental understanding of descriptors of neuromorphic function formulated in terms of intrinsic material properties, and the influence of atomistic defects on mesoscale domain evolution in the presence of external applied fields is currently lacking. Using VO2 and M
x
V2O5 compounds as model systems, I will detail our efforts to develop a systematic understanding of how compositional modifications through substitutional or interstitial doping alter transformation characteristics such as the transition temperature, magnitude of switching, energy dissipation, and hysteresis.
The inclusion of dopant atoms strongly modifies the free energy landscapes in terms of relative phase stabilities, transformation barriers, and pathways; thereby profoundly altering the coupling of lattice, electronic, and spin degrees of freedom in a non-trivial manner. I will particularly focus on the three distinct mechanisms: (a) discovery of diffusive dopants that provide a distinctive new way to alter the dynamics of electronic transitions; (b) cation shuttling and polaron oscillation as a means of engendering metal—insulator transitions; and (c) lattice-anharmonicity-driven mechanisms in compounds with stereochemically active lone pairs.

Acknowledgements: Research supported as part of REMIND, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), under DE-SC0023353
Interleaved Electrode Structures for Enhanced Electrolyte Mass Transport in Li-Ion Batteries : A Numerical Study
Authors: Bhattu Mayuresh , Battiato Ilenia 
Published: August 2024

The enhancement of energy and power density in Li-ion batteries remains a focal point in battery research. When Li-ion batteries are operated at high C-rates, mass transport limitations cause large concentration gradients of Lithium ions to form in the electrolyte. The resultant concentration overpotentials and underutilization of active material effectively imply a lower capacity for higher current rates, which creates a tradeoff between energy and power density. The integration of 3D interleaved electrode structures has been proposed to augment power density while preserving energy density. This work comprehensively analyzes the capacity improvement achieved by utilizing a wavy interleaved structure using electrochemical simulations. A pseudo-3D (P3D) model based on the Doyle-Fuller-Newman framework is employed to analyze the performance of various depths and frequencies of the wavy interleaved structure. Galvanostatic simulations are performed for NMC/Graphite-SiOx and LMO/Graphite cells at different C-rates, and the resultant voltage is systematically divided into component overpotentials to delineate the contribution of activation, ohmic, and mass-transfer overpotentials in both solid electrode and electrolyte. With the same amount of active material, simulations indicate a performance improvement of 7% in capacity at high C-rates. It is observed that using a wavy structure significantly reduces electrolyte concentration heterogeneities and resulting concentration gradients when compared to a conventional flat structure. The overpotential breakdown confirms that the improvement in voltage is indeed contributed precisely by the concentration overpotential. Concentration overpotential decreases with deeper interleaved structures as well as for more spatially frequent structures.
Additionally, the impact of the interleaved electrode structure on cell degradation was also assessed. Lithium plating, which is the most prominent side reaction in the anode, was modeled using a Butler-Volmer kinetic equation, with deposition occurring locally when the solid phase potential drops below that of the electrolyte potential. The interleaved structure alleviates plating significantly due to higher uniformity in Li-ion concentration. With this work, we computationally demonstrate that interleaved structure works well for extracting higher capacity with the same active material, and also aids in suppressing Lithium plating.
Figure Caption : Computed Li-ion concentration profile in the solid active material of an interleaved electrode Li-ion cell as a function of location (x, y) and distance from particle center (z)

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Combining Solid FePc Immobilized on Py-Functionalized Carbon Matrix with Soluble Redox Mediator FePc As an Efficient Cathode Catalyst for Non-Aqueous Li-O2 Batteries
Authors: Chiu Chen-Lung , Chen Jenn-Shing 
Published: August 2024

It is important to develop bifunctional catalysts with high activity and stability for reversible oxygen reduction reactions (ORRs) and oxygen evolution reactions (OERs) in lithium-oxygen (Li-O2) batteries. Recently, the iron phthalocyanine (FePc) complex has been considered a promising candidate for bifunctional (ORR/OER) O2 catalysts due to its low cost, high catalytic properties, and ease of preparation. In this work, two different structural types of FePc-based solution-phase catalysts as soluble redox mediators (SRMs) and solid FePc immobilized on pyridine-functional carbon supports (multi-walled carbon nanotube, MWCNT and graphene, GR) are investigated to evaluate the influence of FePc structural design on their catalytic activity and kinetics.
Our work demonstrated that FePc(solid)/Py/MWCNT exhibited better bifunctional catalytic activity than FePc(solid)/Py/GR in the same electrolyte because of the stronger axial bonding between FePc(solid) and Py/MWCNT. The combination of FePc(solid)/Py/MWCNT and FePc(sol) displays the best cyclability, which can be attributed to the highly efficient solid-liquid interface. Moreover, FePc(solid)/Py/MWCNT without FePc(sol) shows the lowest overpotential owing to the surface-grown thin film Li2O2 is structurally less order than the solution-grown toroidal Li2O2.