Chemistry Commons^™

Advances On Composite Cathodes For Lithium-Sulfur Batteries, Xi-Yao Li, Chang-Xin Zhao, Bo-Quan Li, Jia-Qi Huang, Qiang Zhang

Journal of Electrochemistry

Lithium-sulfur (Li-S) batteries are deemed as high-promising next-generation energy storage technique due to their ultrahigh theoretical energy density, where the sulfur cathodes with high specific capacity guarantee the energy density advantage and directly determine the battery performances. After decades of exploration, the most promising sulfur cathodes are sulfur/carbon composite (S/C) cathodes and sulfurized polyacrylonitrile (SPAN) cathodes. In this manuscript, recent advances on S/C and SPAN cathodes in Li-S batteries are comprehensively reviewed. The electrochemical reaction circumstances on S/C and SPAN cathodes are firstly introduced and compared to reveal the working mechanisms of the two types of Li-S batteries. The S/C …

Multi-Electron Reaction-Boosted High Energy Density Batteries: Material And System Innovation, Rui-Qi Guo, Feng Wu, Xin-Ran Wang, Ying Bai, Chuan Wu

Journal of Electrochemistry

The continuous development of the global energy structure transformation has put forward higher demands upon the development of batteries. The improvements of the energy density have become one of the important indicators and hot topic for novel secondary batteries. The energy density of existing lithium-ion battery has encountered a bottleneck due to the limitations of material and systems. Herein, this paper introduces the concept and development of multi-electron reaction materials over the past twenty years. Guided by the multi-electron reaction, light weight electrode and multi-ion effect, current development strategies and future trends of high-energy-density batteries are highlighted from the perspective …

Carbon-Al Interface Effect On The Performance Of Ionic Liquid-Based Supercapacitor At 3 V And 65 OC, Zhen-Zhen Ye, Shu-Ting Zhang, Xin-Qi Chen, Jin Wang, Ying Jin, Chao-Jie Cui, Lei Zhang, Lu-Ming Qian, Gang Zhang, Wei-Zhong Qian

Journal of Electrochemistry

Ionic liquid (IL) electrolyte-based supercapacitors (SCs) have advantages of high operating voltage window, high energy density and nonflammability, as compared to conventional acetonitrile-based organic electrolyte SCs, and are typically suitable for the large-scale energy storage in the era of carbon neutrality full of renewable, but unstable electricity. However, current efforts were concentrated on the study with coin-cell type of IL-SCs, and less has been reported on the pouch type of IL-SCs for a long cycling time yet. To fabricate a reliable SC for the life time test or for the accelerated aging test under high temperature, one should concern the …

Preparation Of Highly-Cyclized Sulfurized Polyacrylonitrile For Lithium-Sulfur Batteries, Xuan Ji, Jia-Yu Wang, An-Bang Wang, Wei-Kun Wang, Ming Yao, Ya-Qin Huang

Journal of Electrochemistry

Sulfurized polyacrylonitrile (SPAN) is regarded as an attractive cathode candidate of lithium-sulfur (Li-S) batteries for its non-dissolution mechanism and effective alleviation of polysulfides shuttling issue in Li-S batteries, displaying high utilization of cathode active material, outstanding cycle stability and structural stability. However, the relation between cyclization degree and cycle stability of SPAN is still unveiled. In this work, SPAN-C-V composites were synthesized by co-introduction of CuSO₄ and zinc n-ethyl-n-phenyldithiocarbamate (ZDB) in the co-heating of sulfur and polyacrylonitrile. The co-introduction of CuSO₄ and ZDB reduced the cyclization reaction onset temperature of PAN while increased the C—C/C=C within SPAN-C-V, thus …

Enhanced Neurologic Concept Recognition Using A Named Entity Recognition Model Based On Transformers, Sima Azizi, Daniel B. Hier, Donald C. Wunsch

Chemistry Faculty Research & Creative Works

Although Deep Learning Has Been Applied to the Recognition of Diseases and Drugs in Electronic Health Records and the Biomedical Literature, Relatively Little Study Has Been Devoted to the Utility of Deep Learning for the Recognition of Signs and Symptoms. the Recognition of Signs and Symptoms is Critical to the Success of Deep Phenotyping and Precision Medicine. We Have Developed a Named Entity Recognition Model that Uses Deep Learning to Identify Text Spans Containing Neurological Signs and Symptoms and Then Maps These Text Spans to the Clinical Concepts of a Neuro-Ontology. We Compared a Model based on Convolutional Neural Networks …

Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir

All Dissertations

Advances in extraction of shale oil and gas has increased the production of geographically stranded natural gas (primarily consisting of methane (C1) and ethane (C2)) that is burned on site. A potential utilization strategy for shale gas is to convert it into fuel range hydrocarbons by catalytic dehydrogenation followed by oligomerization by direct efficient catalysts. This work focuses on understanding metal cation catalysts supported on metal-organic framework (MOF) NU-1000 that will actively and selectively do this transformation under mild reaction conditions, while remaining stable to deactivation (via metal agglomeration or sintering). I built computational models validated by experimental methods to …

Characterization Of An Amine-Thiol Cosolvent System : Ethylenediamine And Mercaptoethanol, Fernanda Giongo Fernandes

Legacy Theses & Dissertations (2009 - 2024)

Since its introduction, the amine-thiol cosolvent system has been successfully utilized for the deposition of various thin-film devices, but its mechanism of action is still uncertain. Herein, we have attempted to dissect some of the chemical characteristics of amine-thiol cosolvents, with a special interest taken towards a mixture of ethylenediamine (en) and mercaptoethanol (ME). Conductivity was measured for multiple amine-thiol combinations at different ratios to determine extent of ionization in solution, with en-ME having one of the highest solution conductivities. Exposing the solution to air for several days was found to decrease the conductivity of en-ME, indicating the formation of …

Direct Ink Write And Thermomechanical Characterization Of Thermoset Composites, Sergio Dante Favela

Open Access Theses & Dissertations

This research will be divided into two sections. The first section discusses direct ink writing and thermomechanical characterization for thermoset composites. The thermoset ink is prepared with fillers aiding the printing process by modifying the rheology of the ink and geometry retention by allowing for the part to have an initial UV cure step. Three specimen formulations with different weight percentages were printed by material extrusion in the shape of tensile specimens following ASTM standard D638 to characterize the mechanical properties at room temperature, 100â?? and 200â??. Furthermore, the ink resin was characterized through DSC, TGA, and rheology testing. The …

Achieving Safe Use Of Advanced Materials In Drinking Water Through Novel Nano Analytics And Enabling Electrification Using Green Catalyst, Kenneth Ray Flores

Open Access Theses & Dissertations

The accumulation of engineered nanomaterials (ENMs) in environmental sectors will continue to increase as more applications are discovered for their unique properties and characteristics. Additionally, the presence of nanomaterials in the environment becomes exacerbated as more consumer products containing nanoparticles are approved for use. It is debated whether the toxic effects of nanoparticles stem from the particles themselves, ionic species, or formation of secondary particles. Therefore, understanding the behavior of nanoparticles in the environment becomes key to discerning the toxicological effects of nanoparticles. Many advancements have been made with ICP-MS to understand the behavior of nanoparticles in the environmental systems, …

Nano-Engineered Soft Magnets: Potential Application In Water Treatment, Hyperthermia And Molecular (Organic) Magnets, Yohannes Weldemariam Getahun

Open Access Theses & Dissertations

Scrutinizing the remarkable and tunable properties of magnetic materials at a nanoscale size "There's Plenty of Room at the Bottom..." Richard Feynman, this study attempts to find sustainable solutions to some of the deteriorating environmental, health, and energy problems the world is encountering. Due to their simple preparation, surface adaptability, and tunable magnetic and optical properties, magnetic nanoparticles have been extensively investigated in water treatment, cancer therapy, data storage, and more. However, relying on non-reusable and chemical-based treatment agents in water, complex and costly cancer treatment procedures and molecular magnets that operate far below room temperature limited those attempts from …

Surface-Driven Instabilities At Oil-Water Interfaces, Anelisse Claros Mendieta

Graduate Theses and Dissertations

Fluid-fluid interactions are such a wide area and can be observed in different scenarios such as geothermal systems, waterflooding of reservoirs, oil recovery, and water treatment processes. This thesis aims to deepen the understanding of fluid-fluid interactions which include Marangoni flows, charge related instabilities, and surface activity. This thesis studied the interactions of micrometer-sized droplets of an oil (toluene) with surfactant Di-(2-ethylhexyl) phosphoric acid (DEHPA) in the aqueous phase. One of the main goals is to understand several surface-driven instabilities and how those can be manipulated for future applications.Furthermore, this thesis aims to use these oil-surfactant droplets as a medium …

Hierarchical Structure And Material Integration For Electrocatalytic Co2 Reduction, Hamed Mehrabi

Graduate Theses and Dissertations

CO2 released by the combustion of fossil fuels is driving significant changes to the earth’sclimate. The natural cycle for removing CO2 from the atmosphere, namely photosynthesis, cannot keep up with the rate at which it is being added. Developing engineering approaches to remove CO2 from the atmosphere is becoming essential to reduce these effects. Removal leads to further issues of carbon sequestration and favorable CO2 reuse strategies, including the electrochemical transformation of recovered CO2 to useful products such as fuels and materials. Copper is an important electrocatalyst for the CO2 reduction reaction (CO2RR) because of its unique capability for producing …

A Study On Interactions Between Metal-Organic Frameworks And Biological Materials, Josh Phipps

Graduate Theses and Dissertations

Metal-organic frameworks or MOFs are an extremely useful tool in many areas of applications. Their popularity in recent years has arisen from their high efficiency in catalytic chemical reactions. This is made possible due to their porous interior and the ability of the MOFs components to be functionalized. These same traits make MOFs excellent for use in protein encapsulation or immobilization and have the potential to become excellent drug carriers. Their development in this utilization has been limited dramatically compared to MOFs chemical applications. This is due in part to the nature of biological processes taking longer to study, but …

Using Molecular Dynamics Simulations To Decipher Mechanistic Details Of Biomolecular Processes Of Biology And Biotechnology Oriented Applications, Adithya Polasa

Graduate Theses and Dissertations

Researchers in chemistry and biology often utilize computer simulations, in conjunction with experimental data, to model and predict the structures, energies, kinetics, processes, and functions of the systems that are their focus of study, ranging from single molecules to whole viruses. Here, we use molecular dynamics (MD) techniques to gain a deeper understanding of biomolecular processes in biology and biotechnology-oriented applications. Using a mixture of equilibrium and non-equilibrium MD simulations, this work describes the insertion process of YidC at the atomic level. In order to better comprehend the insertion process, several docking models of YidC-Pf3 in the lipid bilayer were …

Investigations Of Prokaryotic Defense Systems, Hannah Domgaard

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Bacteria are constantly threatened with infection by mobile genetic elements (MGE) such as bacteriophage and plasmids. Bacteriophage and plasmids require the bacteria's cellular infrastructure to replicate their genomes. Rampant replication can lead to cell death which is one reason why bacteria have developed a diverse array of immune systems to prevent or limit infection. This thesis studies three types of bacterial immune systems, type IV-A CRISPR-Cas (Clustered Regularly Interspaced Short Palindromic Repeat –CRISPR associated), type V-A2 CRISPR-Cas systems, and Wadjet systems.

The type IV-A system lies adjacent to a dinG-like helicase gene. Research has shown that this system can target …

Water-Soluble Saponins Accumulate In Drought-Stressed Switchgrass And May Inhibit Yeast Growth During Bioethanol Production, Sarvada Hemant Chipkar, Katherine Smith, Elizabeth M. Whelan, Derek J. Debrauske, Annie Jen, Katherine A. Overmyer, Andrea Senyk, Larkin Hooker-Moericke, Marissa Gallmeyer, Joshua J. Coon, A. Daniel Jones, Trey K. Sato, Rebecca G. Ong

Michigan Tech Publications, Part 1

Background: Developing economically viable pathways to produce renewable energy has become an important research theme in recent years. Lignocellulosic biomass is a promising feedstock that can be converted into second-generation biofuels and bioproducts. Global warming has adversely affected climate change causing many environmental changes that have impacted earth surface temperature and rainfall patterns. Recent research has shown that environmental growth conditions altered the composition of drought-stressed switchgrass and directly influenced the extent of biomass conversion to fuels by completely inhibiting yeast growth during fermentation. Our goal in this project was to find a way to overcome the microbial inhibition and …

Efficient Interface Enabled By Nano-Hydroxyapatite@Porous Carbon For Lithium-Sulfur Batteries, Jia-Yu Wang, Xue-Feng Tong, Qi-Fan Peng, Yue-Peng Guan, Wei-Kun Wang, An-Bang Wang, Nai-Qiang Liu, Ya-Qin Huang

Journal of Electrochemistry

The dissolution and “shuttle effect” of lithium polysulfides (LiPSs) hinder the application of lithium-sulfur (Li-S) batteries. To solve those problems, inspired by natural materials, a nano-hydroxyapatite@porous carbon derived from chicken cartilage (nano-HA@CCPC) was fabricated by employing a simple pre-carbonization and carbonization method, and applied in Li-S batteries. The nano-HA@CCPC would provide a reactive interface that allows efficient LiPSs reduction. With a strong affinity for LiPSs and an excellent electronic conductive path for converting LiPSs, the shuttle effect of LiPSs was confined and the redox kinetics of LiPSs was substantially enhanced. Li-S batteries employing nano-HA@CCPC-modified separators exhibited long cycle life and …

Advances And Atomistic Insights Of Electrolytes For Lithium-Ion Batteries And Beyond, Tingzheng Hou, Xiang Chen, Lu Jiang, Cheng Tang

Journal of Electrochemistry

Electrolytes and the associated electrode-electrolyte interfaces are crucial for the development and application of high-capacity energy storage systems. Specifically, a variety of electrolyte properties, ranging from mechanical (compressibility, viscosity), thermal (heat conductivity and capacity), to chemical (solubility, activity, reactivity), transport, and electrochemical (interfacial and interphasial), are correlated to the performance of the resultant full energy storage device. In order to facilitate the operation of novel electrode materials, extensive experimental efforts have been devoted to improving these electrolyte properties by tuning the physical design and/or chemical composition. Meanwhile, the recent development of theoretical modeling methods is providing atomistic understandings of the …

Review On Oxygen-Free Vanadium-Based Cathodes For Aqueous Zinc-Ion Batteries, Xiao-Ru Yun, Yu-Fang Chen, Pei-Tao Xiao, Chun-Man Zheng

Journal of Electrochemistry

Aqueous zinc-ion batteries (AZIBs) are considered as one of the most promising next-generation electrochemical energy storage systems owing to their high-power density, environmental benign, intrinsic safety, and the low cost of the abundant zinc resources. However, their further development is still plagued by the inferior electrochemical performance of cathode materials. Though extensive research has been conducted to investigate various cathode materials (including manganese oxides, vanadium oxides, Prussian blues analogy, and organic materials), design of high-performance cathodes with satisfying capacity and long-term cycling stability still faces great challenges. Oxygen-free vanadium-based compounds, owing to their better conductivity, larger interlayer spacing, lower ion …

Oligomeric Ionic Liquids: Bulk, Interface And Electrochemical Application In Energy Storage, Dan-Dan Li, Xiang-Yu Ji, Ming Chen, Yan-Ru Yang, Xiao-Dong Wang, Guang Feng

Journal of Electrochemistry

Over recent years, oligomer ionic liquids (OILs), a novel class of ionic liquids, are becoming preferential electrolytes for high-performance energy-storage devices, such as supercapacitors with enhanced energy density and non-flammable lithium-ion batteries (LIBs). Herein, structures, properties, and their associations of the up-to-the-minute formulated OILs are systematically summarized and elaborately interpreted, especially for dicationic ionic liquids and tricationic ionic liquids. The physicochemical and electrochemical properties of OIL-based electrolytes are presented and analyzed, which are vitally important for supercapacitors and LIBs. Subsequently, the applications of OILs as electrolytes for supercapacitors and LIBs are summarized, with the comparisons of the energy-storage mechanisms and …

Insight Into The Effects Of Cation Disorder And Surface Chemical Residues On The Initial Coulombic Efficiency Of Layered Oxide Cathode, Jin-Li Liu, Han-Feng Wu, Zhi-Bei Liu, Ying-Qiang Wu, Li Wang, Feng-Li Bei, Xiang-Ming He

Journal of Electrochemistry

Lithium layered oxide LiNi_0.6Co_0.2Mn_0.2O₂ (NCM622) is one of the most promising cathode materials in high-energy lithium-ion batteries for electric vehicles. However, one drawback for NCM622 is that its initial coulombic efficiency (ICE) is only about 87%, which is at least 6% lower than that of LiCoO₂ or LiFePO₄. In this work, we investigated the effects of surface chemical residues (e.g., LiOH and Li₂CO₃) and Li/Ni cation disorder resulted during the sintering on the ICE. We found that the ICE of the as-prepared samples could be boosted …

Which Factor Dominates Battery Performance: Metal Ion Solvation Structure-Derived Interfacial Behavior Or Solid Electrolyte Interphase Layer?, Hao-Ran Cheng, Zheng Ma, Ying-Jun Guo, Chun-Sheng Sun, Qian Li, Jun Ming

Journal of Electrochemistry

Solid-electrolyte interphase (SEI) layer formed on the electrode by electrolyte decomposition has been considered to be one of the most important factors affecting the battery performance. We discover that the metal ion solvation structure can also influence the performance, particularly, it can elucidate many phenomena that the SEI cannot. In this review, we summarize the importance of the metal ion solvation structure and the derived metal ion de-solvation behaviors, by which we can build an interfacial model to show the relationship between the interfacial behavior and electrode performance, and then apply to different electrode and battery systems. We emphasize the …

Tau Kinetics In Alzheimer's Disease, Daniel B. Hier, Sima Azizi, Matthew S. Thimgan, Donald C. Wunsch

Chemistry Faculty Research & Creative Works

The Cytoskeletal Protein Tau is Implicated in the Pathogenesis of Alzheimer's Disease Which is Characterized by Intra-Neuronal Neurofibrillary Tangles Containing Abnormally Phosphorylated Insoluble Tau. Levels of Soluble Tau Are Elevated in the Brain, the CSF, and the Plasma of Patients with Alzheimer's Disease. to Better Understand the Causes of These Elevated Levels of Tau, We Propose a Three-Compartment Kinetic Model (Brain, CSF, and Plasma). the Model Assumes that the Synthesis of Tau Follows Zero-Order Kinetics (Uncorrelated with Compartmental Tau Levels) and that the Release, Absorption, and Clearance of Tau is Governed by First-Order Kinetics (Linearly Related to Compartmental Tau Levels). …

Exploring The Biomedical Applications Of Polyurethane-Based Foams, Films, And Hydrogels, Anand Utpal Vakil

Dissertations - ALL

Shape memory polymers (SMPs) are a class of smart materials that can be temporarily stored in a deformed shape and can actively recover their original shape upon exposure to an external stimulus, such as heat, magnetic field, moisture, pH, light, or electric field. The ability of SMPs to change shape when required can be used for a wide range of applications, especially in the case of minimally invasive biomedical applications. In this work, polyurethane-based SMPs were explored for their use in tissue engineering, drug delivery, and wound healing applications.

In the second chapter, low density porous foams with tunable degradability …

Processing Of Plastic Film From Potato Starch: Effect Of Drying Methods, Kourtney Collier, Samantha Goins, Austin Chirgwin, Isabelle Stanfield

The Journal of Purdue Undergraduate Research

Starch-based plastics are biodegradable, compostable compounds made of starch and plasticizers from natural sources. Their fabrication involves the starch-plasticizer reaction at 70–100°C followed by cooling and drying. Th e most common drying method is air drying (natural convection), which is effective but slow. Th e objective of this work is to study the effect of fast drying (forced convection) on the quality of the plastic film. Th is work compares the effects of drying conditions and drying rate on warpage, shrinkage rate, and presence of bubbles. Five drying methods are studied: (1) natural convection with uncovered petri dish, (2) natural …

Synthesis And Characterization Of Nanocomposites For Environmental Remediation, Nethaji S

Technical Collection

My current work deals with the preparation and characterization of nanocomposites for effluent treatment applications. The expertise lies on the preparation of carbonaceous nanocomposites including graphitic materials. The prepared materials are characterized thoroughly by different methods like FE-SEM, TEM, FT-IR, XRD, VSM, surface area and porosity. The composite materials are used for the removal of conventional and emerging contaminants like antibiotics, pesticide residues, endocrine disruptors etc. In addition to the batch studies, fabrication of microcolumns to aid the scale-up of the process is also carried out. I have published 14 research publications with around 1000 citations and h-index of 11. …

Electrochemical Syntheses Of Nanomaterials And Small Molecules For Electrolytic Hydrogen Production, Jia-Qi Wei, Xiao-Dong Chen, Shu-Zhou Li

Journal of Electrochemistry

Hydrogen is a clean, efficient, renewable energy resource and the most promising alternative to fossil fuels for future carbon-neutral energy supply. Therefore, sustainable hydrogen production is highly attractive and urgently demanded, especially via water electrolysis that has clean, abundant precursors and zero emission. However, current water electrolysis is hindered by the sluggish kinetics and low cost/energy efficiency of both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). In this regard, electrochemical synthesis offers prospects to raise the efficiency and benefit of water electrolysis by fabricating advanced electrocatalysts and providing more efficient/value-adding co-electrolysis alternatives. It is an eco-friendly and facile …

Alkaline Water Electrolysis For Efficient Hydrogen Production, Wen-Fu Xie, Ming-Fei Shao

Journal of Electrochemistry

Hydrogen production from water electrolysis is a sustainable and environmentally benign strategy in comparison with fossil fuel-based hydrogen. However, this promising technique suffers from the high energy consumption and unsatisfactory cost due to the sluggish kinetics of both half reaction and inferior stability of electrocatalysts. To address this challenge, herein, we present a timely and comprehensive review on advances in alkaline water electrolysis that is already commercialized for large scale hydrogen production. The design principles and strategies with aiming to promote the performance of hydrogen generation are discussed from the view of electrocatalyst, electrode, reaction and system. The challenges and …

Alkaline Seawater Electrolysis At Industrial Level:Recent Progress And Perspective, Tao Zhang, Yi-Pu Liu, Qi-Tong Ye, Hong-Jin Fan

Journal of Electrochemistry

Industrial hydrogen generation through water splitting, powered by renewable energy such as solar, wind and marine, paves a potential way for energy and environment sustainability. However, state-of-the-art electrolysis using high purity water as hydrogen source at an industrial level would bring about crisis of freshwater resource. Seawater splitting provides a practical path to solve potable water shortage, but still faces great challenges for large-scale industrial operation. Here we summarize recent developments in seawater splitting, covering general mechanisms, design criteria for electrodes, and industrial electrolyzer for direct seawater splitting. Multi-objective optimization methods to address the key challenges of active sites, reaction …

A Self-Supported Ru-Cu3P Catalyst Toward Alkaline Hydrogen Evolution, Zi-Xuan Wan, Chao-Hui Wang, Xiong-Wu Kang

Journal of Electrochemistry

Transition metal phosphide (TMP) is a kind of effective catalysts toward hydrogen evolution reaction (HER) in alkaline electrolytes. However, the performance of TMP catalysts is strongly limited by water splitting. In this work, we developed a method to prepare a copper foam (CF) supported Ru-doped Cu₃P catalyst (Ru-Cu₃P/CF) by a consecutive growth of Cu(OH)₂ nanoarrays, soaking in RuCl₃ solution and phosphorization. A large surface area was obtained by the self-supported catalysts with the appropriative Ru doping. As an excellent HER catalyst, it exhibited a low overpotential of 95.6 mV at a current density of …