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Full-Text Articles in Materials Chemistry

Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen Jan 2023

Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen

Theses and Dissertations--Chemical and Materials Engineering

The sustainable development of society needs sustainable energy solutions and the mitigation of greenhouse gas emissions. One key subject in this area is the development of safe and efficient ion-based batteries. Moreover, CO2 capture is a crucial pathway in mitigating emissions from the combustion of fossil fuels. Ongoing efforts are to improve both technologies' safety and efficiency. This thesis presents our efforts to conduct computational research on understanding advanced zwitterionic electrolytes and CO2 capture. Chapters 2-4 illustrate the computational research to understand ionic solvation in zwitterionic electrolytes. Solid-state electrolytes are essential for safer batteries. While solid polymer electrolytes …

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Translating Chemistry, Structure, And Processing To The Solid-State Morphology And Function Of Organic Semiconductors Through Computational Modeling And Simulations, Chamikara D. Karunasena Jan 2023

Translating Chemistry, Structure, And Processing To The Solid-State Morphology And Function Of Organic Semiconductors Through Computational Modeling And Simulations, Chamikara D. Karunasena

Theses and Dissertations--Chemistry

The immense synthetic design space and material versatility have driven the exploration and development of organic semiconductors (OSC) over several decades. While many OSC designs focus on the chemistries of the molecular or polymer building blocks, a priori, multiscale control over the solid-state morphology is required for effective application of the active layer in a given technology. However, molecular assembly during solid-state formation is a complex function interconnecting the building block chemistry and the processing environment. Insufficient knowledge as to how these aspects engage, especially at the atomistic and molecular scales, has so far limited the ability to predict …

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Developing And Deploying Data-Driven Tools For Accelerated Design Of Organic Semiconductors, Vinayak Bhat Jan 2023

Developing And Deploying Data-Driven Tools For Accelerated Design Of Organic Semiconductors, Vinayak Bhat

Theses and Dissertations--Chemistry

Organic semiconductors have gained widespread attention due to their potential applications in flexible, low-cost, lightweight electronics, energy storage and generation technologies, and sensing applications. However, developing new organic semiconductors with improved performance remains a significant challenge due to the vast chemical space of possible molecular and materials structures. Furthermore, the high cost and time-consuming nature of experimental synthesis and characterization hinder the rapid discovery of new materials. To overcome these challenges, this dissertation presents a data-driven approach to organic semiconductor discovery. The primary focus of this work is the development of data-driven tools, namely machine learning models, to predict critical …

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Surface Modification Of Carbon-Based Electrodes For Electrochemical Conversion Processes: Oxygen Reduction Reaction And Bicarbonate Conversion, Udari Shyamika Kodithuwakku Arachchige Jan 2023

Surface Modification Of Carbon-Based Electrodes For Electrochemical Conversion Processes: Oxygen Reduction Reaction And Bicarbonate Conversion, Udari Shyamika Kodithuwakku Arachchige

Theses and Dissertations--Chemistry

Oxygen reduction reaction (ORR) and conversion of bicarbonate into value-added chemicals are two significant electrochemical processes for energy storage and conversion. ORR is an important electrochemical reaction in fuel cells and metal-air batteries that provide power conversion and storage capacity, respectively, for portable electronics, and electric vehicles. However, the performance of catalysts (e.g., platinum-based) is critically limited by slow kinetics, inefficient four-electron pathway, and surface deactivation. This limited performance of platinum-based catalysts, the scarcity of platinum, and vulnerable supply chains for critical minerals require the development of alternative electrocatalysts now more than ever. Carbon-based materials possess several key properties that …

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Water-Soluble Palladium, Copper, And Nickel Catalysts And Their Formation In Ligand-Free Suzuki-Miyaura Cross-Coupling Reactions, Priya Karna Jan 2023

Water-Soluble Palladium, Copper, And Nickel Catalysts And Their Formation In Ligand-Free Suzuki-Miyaura Cross-Coupling Reactions, Priya Karna

Theses and Dissertations--Chemistry

Transition-metal catalyzed Suzuki-Miyaura (SM) cross coupling is a powerful synthetic method for constructing carbon-carbon and carbon-heteroatom bonds in designing organic compounds, agrochemicals, pharmaceuticals, and precursors for materials. However, the nature of catalysis and identity of the transition metal catalysts used in these reactions remain under debate or unknown. This dissertation reports the studies of three metals: Pd, Cu, and Ni. Pd-nanocluster catalysts and their formation in ligand-free SM reactions with Pd(II) nitrate as a precatalyst was investigated. The catalysts are water-soluble neutral Pd tetramer and trimer in their singlet electronic states as identified by UV-Vis absorption spectroscopy and are formed …

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Development Of An Effective Au:Pd Bimetallic Heterogeneous Catalyst For Oxidative Lignin Depolymerization To Low Molecular Weight Aromatics, Gayan P. Karunasinghe Jan 2023

Development Of An Effective Au:Pd Bimetallic Heterogeneous Catalyst For Oxidative Lignin Depolymerization To Low Molecular Weight Aromatics, Gayan P. Karunasinghe

Theses and Dissertations--Chemistry

The principal concept behind biorefining involves the transformation of lignocellulosic biomass into valuable products and energy resources. Historically, biorefinery strategies for lignocellulosic biomass have primarily focused on improving the conversion of cellulose into ethanol, often neglecting the underutilized lignin component. Lignin consists of phenolic subunits, from which it follows that value-added products can be obtained from lignin depolymerization. Unfortunately, lignin utilization is particularly challenging due to its high structural irregularity and recalcitrance. The goal of this study was to develop an AuPd/Li-Al layered double hydroxide (LDH) bimetallic catalyst for efficient lignin depolymerization, resulting in the production of high-value aromatic compounds. …

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First Principles Calculations To Investigate Surface And Catalytic Properties Of Materials For Green Energy Generation, Keerthan Raghavendra Rao Jan 2023

First Principles Calculations To Investigate Surface And Catalytic Properties Of Materials For Green Energy Generation, Keerthan Raghavendra Rao

Theses and Dissertations--Chemistry

Climate change due to greenhouse gas build up in the earth’s atmosphere is an existential threat to humanity. To mitigate climate change, a significant shift from fossil fuels is necessary. Over the years, several renewable energy sources like solar, wind, geothermal etc. have been explored with the aim providing carbon-free energy. In this work, we focus on using density functional theory (DFT) methods to investigate key functional properties of materials of interest for applications in solar cells and catalytic conversion for energy generation. We show geometric effects of carboxylic acid binding on a transition metal surface to impact the deoxygenation …

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Exploring The Role Of Ring Annulation In Polycyclic Aromatic Hydrocarbons For Organic Electronic Applications, Tanner Smith Jan 2023

Exploring The Role Of Ring Annulation In Polycyclic Aromatic Hydrocarbons For Organic Electronic Applications, Tanner Smith

Theses and Dissertations--Chemistry

Organic materials offer promising potential for the next generation of electronic devices, as their tunability, processability, and low-temperature manufacturing make them a cheap and versatile alternative to traditional silicon-based electronics. The ability to systematically alter the electronic properties of organic materials is vital for their incorporation into device applications. Polycyclic aromatic hydrocarbons (PAHs) are of significant interest for organic electronic applications, as relevant properties are highly dependent on their size, structure, and functionalities, and thus can be tuned to fit a wide variety of applications. Due to the enormous number of structural isomers available in larger PAHs, the development of …

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The Application Of Photoelectron Spectroscopies In Analyzing The Impact Of Interfacial Energetics On Perovskite Solar Cells, Tuo Liu Jan 2023

The Application Of Photoelectron Spectroscopies In Analyzing The Impact Of Interfacial Energetics On Perovskite Solar Cells, Tuo Liu

Theses and Dissertations--Chemistry

In recent years, organic-inorganic metal halide perovskites (HP) have garnered tremendous attention in photovoltaic research. This attention is attributed to their low cost and excellent optoelectronic properties, including large absorption coefficients, tunable bandgaps, long charge-carrier diffusion lengths, and low densities of deep trap states. Inverted p-i-n architecture perovskite solar cells (PSCs) are of intense interest and are generally regarded as more amenable to low-temperature solution processing. Nevertheless, the development of inverted PSCs is lagging the conventional architecture devices. Imperfect energy level alignments and charge carrier recombination, especially at the interface between perovskite and electron transport layers (ETLs), are two main …

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Outstanding Advantages, Current Drawbacks, And Significant Recent Developments In Mechanochemistry: A Perspective View, Silvina Pagola Jan 2023

Outstanding Advantages, Current Drawbacks, And Significant Recent Developments In Mechanochemistry: A Perspective View, Silvina Pagola

Chemistry & Biochemistry Faculty Publications

Although known since antiquity, mechanochemistry has remained dormant for centuries. Nowadays, mechanochemistry is a flourishing research field at the simultaneous stages of gathering data and (often astonishing) observations, and scientific argumentation toward their analysis, for which the combination of interdisciplinary expertise is necessary. Mechanochemistry’s implementation as a synthetic method is constantly increasing, although it remains far from being fully exploited, or understood on the basis of fundamental principles. This review starts by describing many remarkable advantages of mechanochemical reactions, simplifying and “greening” chemistry in solutions. This description is followed by an overview of the current main weaknesses to be addressed …

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Synthesis And Self-Assembling Properties Of Carbohydrate- And Diarylethene-Based Photoswitchable Molecular Gelators, Pramod Aryal, Joedian Morris, Surya B. Adhikari, Jonathan Bietsch, Guijun Wang Jan 2023

Synthesis And Self-Assembling Properties Of Carbohydrate- And Diarylethene-Based Photoswitchable Molecular Gelators, Pramod Aryal, Joedian Morris, Surya B. Adhikari, Jonathan Bietsch, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Carbohydrate-based low-molecular-weight gelators are interesting new materials with many potential applications. These compounds can be designed to include multiple stimuli-responsive functional groups. In this study, we designed and synthesized several chemically responsive bola-glycolipids and dimeric carbohydrate- and diarylethene-based photoswitchable derivatives. The dimeric glycolipids formed stable gels in a variety of solvent systems. The best performing gelators in this series contained decanedioic and dithienylethene (DTE) spacers, which formed gels in eight and nine of the tested solvents, respectively. The two new DTE-containing esters possessed interesting photoswitching properties and DTE derivative 7 was found to have versatile gelation properties in many solvents, …

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Chemistry Of Fluorinated Functional Groups: Impact On Molecular Packing, Optoelectronic Properties, Electrochemical Polymerization, Photochemistry, And Reagent Development, Shankar Gairhe Jan 2023

Chemistry Of Fluorinated Functional Groups: Impact On Molecular Packing, Optoelectronic Properties, Electrochemical Polymerization, Photochemistry, And Reagent Development, Shankar Gairhe

Dissertations and Theses

Fluorinated functional groups have attracted great interest in various aspects of chemistry applications including pharmaceuticals, organic electronics, and polymers. The aim of this study is to explore the impact of fluorinated functional groups on 1) optimization of crystal structures and electronic properties of organic semiconductor molecules, 2) electrochemical polymerization of fluorinated aromatics, 3) photochemical reactivity of carbonyl compounds, and 4) generating new nucleophilic fluorination reagents. Our initial work demonstrates that long fluoroalkyl side chains on planar aromatic systems give rise to fluorine-fluorine (F---F) attractive interactions, assisting formation of lamellar packing motif in the solid state. Surprisingly, introducing shorter perfluoroalkyl side …

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A Comparison Of Tung Oil Resin Reinforcements Using Fibrous Proteins And Peptides For Biological And Materials Applications, Parker L. Williams Jan 2023

A Comparison Of Tung Oil Resin Reinforcements Using Fibrous Proteins And Peptides For Biological And Materials Applications, Parker L. Williams

College of Graduate Studies: Theses & Dissertations

In this study a tung oil based thermoset was reinforced with collagen and fibroin, and the resulting composites were analyzed for their physical properties. Tung tree seed oil is a great candidate for biobased polymer production because its triglycerides are primarily made of alpha eleostearic acid, a fatty acid with three conjugated carbon-carbon double bonds. These double bonds allow for mechanically strong crosslinking in the polymer. It has been observed that polymerized tung oil forms a gel. This issue has been addressed using divinylbenzene (DVB) and n-butyl methacrylate (BMA) as co-monomers. Similar bio-based polymers have been studied and tend to …

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Coating Compositions And Methods For Using The Same, Fateme Rezaei, Thomas P. Schuman, Glenn C. Morrison Jan 2023

Coating Compositions And Methods For Using The Same, Fateme Rezaei, Thomas P. Schuman, Glenn C. Morrison

Patents

Coating compositions and methods for using the same are disclosed. The coating compositions can include an aminosilica adsorbent. The coating compositions can adsorb CO2.

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Color-Changing Reflection Hologram For Quality Assurance Of Therapeutic Ultrasound Systems, Tatsiana Mikulchyk, John Walsh, Jacinta Browne, Izabela Naydenova, Dervil Cody Jan 2023

Color-Changing Reflection Hologram For Quality Assurance Of Therapeutic Ultrasound Systems, Tatsiana Mikulchyk, John Walsh, Jacinta Browne, Izabela Naydenova, Dervil Cody

Articles

The acoustic output of clinical therapeutic ultrasound equipment requires regular quality assurance (QA) testing to ensure the safety and efficacy of the treatment and that any potentially harmful deviations from the expected output power density are detected as soon as possible. A hologram, consisting of a reflection grating fabricated in an acrylate photopolymer film, has been developed to produce an immediate, visible, and permanent change in the color of the reconstructed hologram from red to green in response to incident ultrasound energy. The influence of the therapeutic ultrasound insonation parameters (exposure time, ultrasound power density, and proximity to the point …

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Facile Synthesis Of Nite2-Co2Te2@Rgo Nanocomposite For High-Performance Hybrid Supercapacitor, Maziar Farshadnia, Ali A. Ensafi, Kimia Zarean Mousaabadi, Behzad Rezaei, Muslum Demir Jan 2023

Facile Synthesis Of Nite2-Co2Te2@Rgo Nanocomposite For High-Performance Hybrid Supercapacitor, Maziar Farshadnia, Ali A. Ensafi, Kimia Zarean Mousaabadi, Behzad Rezaei, Muslum Demir

Chemistry & Biochemistry Faculty Publications and Presentations

The design of bimetallic tellurides that exhibit excellent electrochemical properties remains a huge challenge for high-performance supercapacitors. In the present study, tellurium is consolidated on CoNi2@rGO for the first time, to synthesize NiTe2-Co2Te2@rGO nanocomposite by using a facile hydrothermal method. As-prepared NiTe2-Co2Te2@rGO nanocomposite was characterized by EDS, TEM, FESEM, Raman, BET, XRD, and XPS techniques to prove the structural transformation. Upon the electrochemical characterization, NiTe2-Co2Te2@rGO has notably presented numerous active sites and enhanced contact sites with the electrolyte solution during …

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Re-Assembling Polymer Particle Package For Conformance Control And Fluid Loss Control, Jingyang Pu, Baojun Bai, Thomas P. Schuman Jan 2023

Re-Assembling Polymer Particle Package For Conformance Control And Fluid Loss Control, Jingyang Pu, Baojun Bai, Thomas P. Schuman

Patents

This invention is broadly concerned with compositions and processes for oilfield applications. More specifically, this invention relates to novel polymer constructed packages that, when pumped into a petroleum well, provide tunable characteristics of transformation and delayed self-assembly with each other under reservoir conditions to yield strong, elastic, bulk gel materials. The compositions comprise a polymer, assembling agents, and optional additives used for the re-assembly stage are uniformly-distributed within the initial gel particles. The polymer particle packages absorb water and swell upon exposure to water, thus exposing the "assembling agents" that enable re-assembly. Both swelling and re-assembly are proportionally controlled via …

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Synthesis Of A Series Of Trimeric Branched Glycoconjugates And Their Applications For Supramolecular Gels And Catalysis, Jonathan Bietsch, Anji Chen, Dan Wang, Guijun Wang Jan 2023

Synthesis Of A Series Of Trimeric Branched Glycoconjugates And Their Applications For Supramolecular Gels And Catalysis, Jonathan Bietsch, Anji Chen, Dan Wang, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Carbohydrate-derived molecular gelators have found many practical applications as soft materials. To better understand the structure and molecular gelation relationship and further explore the applications of sugar-based gelators, we designed and synthesized eight trimeric branched sugar triazole derivatives and studied their self-assembling properties. These included glucose, glucosamine, galactose, and maltose derivatives. Interestingly, the gelation properties of these compounds exhibited correlations with the peripheral sugar structures. The maltose derivative did not form gels in the tested solvents, but all other compounds exhibited gelation properties in at least one of the solvents. Glucose derivatives showed superior performance, followed by glucosamine derivatives. They …

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Electrolyte Synthesis And Engineering For Alkali Metal Batteries, Yiwen Zhang Jan 2023

Electrolyte Synthesis And Engineering For Alkali Metal Batteries, Yiwen Zhang

Dartmouth College Ph.D Dissertations

Batteries have been in increasing demand over the last decade for portable electronic devices, electric vehicles, and grid-scale energy storage systems. While the electrode materials define the characteristic features of a battery system, the composition of the electrolyte is of critical importance and needs to be engineered for different battery systems to ensure superior electrochemical performance. In this thesis, the basic functionality and fundamental mechanism of the electrolytes in battery systems are first introduced. Then, three major electrolyte engineering strategies are demonstrated, including electrolyte composition formulation, electrolyte-electrode component modification, and function-oriented electrolyte design. Firstly, the low-temperature capacity restraint of lithium …

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Mechanistic Studies Of Co2 Electrochemical Reduction (Co2er) On Cu And Cuo Nanoparticles With In-Situ Atr-Ftir Spectroscopy, Jason Hsu Jan 2023

Mechanistic Studies Of Co2 Electrochemical Reduction (Co2er) On Cu And Cuo Nanoparticles With In-Situ Atr-Ftir Spectroscopy, Jason Hsu

Theses and Dissertations (Comprehensive)

Global climate change is a major challenge facing the world in the 21st century. This environmental crisis originated from excess amounts of atmospheric carbon dioxide (CO2) released from burning fossil fuels. One promising remediation method to decrease atmospheric CO2 levels is called carbon dioxide electrochemical reduction (CO2ER). In CO2ER, the CO2 gas undergoes chemical reduction to other hydrocarbon fuels. For CO2ER to take place, an energy source and a catalyst are needed. In this thesis, three aspects of CO2ER were investigated using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy coupled with other surface sensitive characterization tools. First, we studied …

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Solid State Nmr Analysis Of Insect Wing Membranes, Samuel Eddy Jan 2023

Solid State Nmr Analysis Of Insect Wing Membranes, Samuel Eddy

Graduate Theses, Dissertations, and Problem Reports (ETD)

Solid State NMR is a powerful tool for analyzing the chemical composition of insects. Previous studies have used Solid State NMR to investigate the chemical composition and investigate the sclerotization (tanning) process of insect exoskeletons. Acquiring sufficient exoskeleton sample for analysis has been relatively simple. This is however not the case for other components of an insect’s physiology, particularly the wing membrane material. The wings of an insect only compose a small percentage of their overall body mass, and many hundreds to thousands of insects must be processed in order to achieve a few milligrams of wing membrane sample. The …

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Exploration And Synthesis Of Half-Heusler And Disordered Ternary Intermetallic Single Crystals, Md Fahel Bin Noor Jan 2023

Exploration And Synthesis Of Half-Heusler And Disordered Ternary Intermetallic Single Crystals, Md Fahel Bin Noor

Graduate Theses/Dissertations

Due to their distinct physical and chemical characteristics, half-Heusler compounds are intermetallic materials that have undergone substantial research. The general formula for these compounds is XYZ, where X and Y are transition metals and Z is a p-block element. Thermoelectricity is among the half-Heusler compounds' most exciting potential uses, but additional possible applications include spintronics, magnetic refrigeration, and superconductivity, among others. Recently, half-Heuslers (and Heuslers) have emerged as candidates for catalysts for hydrogenation. The CoNbSn half-Heusler compound, as well as another unique intermetallic ternary compound, the disordered Mn4-xCrxAl11, were successfully grown as single crystals …

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Feasibility Studies For Use Of Copper Slag In Clinker Manufacture, Suresh Vanguri, Suresh Palla, Gonthi Prasad, Sanjeev Kumar Chaturvedi, Bibekananda Mohapatra Dec 2022

Feasibility Studies For Use Of Copper Slag In Clinker Manufacture, Suresh Vanguri, Suresh Palla, Gonthi Prasad, Sanjeev Kumar Chaturvedi, Bibekananda Mohapatra

Makara Journal of Science

This study investigated the feasibility of using copper slag (CS-C) as a raw material in the production of Portland cement (PC). The effect of addition of 0%-3.5% CS-C on the clinkerization process, mineralogy, microstructure, and compressive strength development was studied. The Presence of CS-C in the raw mix resulted in the reduced temperature of clinkerization by about 50 °C. The quality of clinker prepared from the raw mix containing 3% CS-C and burned at 1400 °C was comparable to that of clinker prepared from the raw mix containing no CS-C and burned at 1450 °C. Gradual polymorphic modification of alite …

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Advances On Composite Cathodes For Lithium-Sulfur Batteries, Xi-Yao Li, Chang-Xin Zhao, Bo-Quan Li, Jia-Qi Huang, Qiang Zhang Dec 2022

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 …

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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 Dec 2022

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 …

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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 Dec 2022

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 …

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Application Of Artificial Intelligence To Lithium-Ion Battery Research And Development, Zhen-Wei Zhu, Jing-Yi Qiu, Li Wang, Gao-Ping Cao, Xiang-Ming He, Jing Wang, Hao Zhang Dec 2022

Application Of Artificial Intelligence To Lithium-Ion Battery Research And Development, Zhen-Wei Zhu, Jing-Yi Qiu, Li Wang, Gao-Ping Cao, Xiang-Ming He, Jing Wang, Hao Zhang

Journal of Electrochemistry

Lithium-ion batteries (LIBs) have become one of the best solutions to the energy storage issue in modern society. However, the battery materials and device development are both complex, and involve multivariable problems. Traditional trial-and-error approach, which relies on researchers to conduct experiments, has encountered bottlenecks in the improvement of the battery performance. Artificial intelligence (AI) is the most potential technology to deal with this issue due to its powerful high-speed and capabilities of processing massive data. In particular, the capability of machine learning (ML) algorithms in assessing multidimensional data variables and discovering patterns in the sets are expected to assist …

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Multi-Electron Reaction-Boosted High Energy Density Batteries: Material And System Innovation, Rui-Qi Guo, Feng Wu, Xin-Ran Wang, Ying Bai, Chuan Wu Dec 2022

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 …

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Investigating The Electrochemical Behavior Of Dihydropyrrolopyroles For Use As Anodically Coloring Electrochromes, Perry Skiouris, Ally Kisiel, Valentino Sorto, Julia Mauro, Graham Collier Dec 2022

Investigating The Electrochemical Behavior Of Dihydropyrrolopyroles For Use As Anodically Coloring Electrochromes, Perry Skiouris, Ally Kisiel, Valentino Sorto, Julia Mauro, Graham Collier

Symposium of Student Scholars

Electrochromic materials have found widespread use in consumer electronics, energy saving windows, and military applications. They contain unique electronic properties allowing them to undergo a color change in a redox reaction. One classification of these molecules is known as anodically coloring electrochromes (ACEs). When in solution, these compounds are transmissive in the neutral (ground) state and absorb visible light upon oxidation, by the formation of a radical cation, thus making them colored. The focus of this study is the electronic transitions of this radical cation and how chemical modifications to the structures produce a variable color profile. To design prospective …

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A Study On Interactions Between Metal-Organic Frameworks And Biological Materials, Josh Phipps Dec 2022

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 …

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