Silica Particles Convert Thiol-Containing Molecules To Disulfides,
2023
Stanford University
Silica Particles Convert Thiol-Containing Molecules To Disulfides, Yangjie Li, Kurt W. Kolasinski, Richard N. Zare
Chemistry Faculty Publications
Synthetic amorphous silica is a common food additive and a popular cosmetic ingredient. Mesoporous silica particles are also widely studied for their potential use in drug delivery and imaging applications because of their unique properties, such as tunable pore sizes, large surfaces areas, and assumed biocompatibility. Such a nanomaterial, when consisting of pure silicon dioxide, is generally considered to be chemically inert, but in this study, we showed that oxidation yields for different compounds were facilitated by simply incubating aqueous solutions with pure silica particles. Three thiol-containing molecules, L-cysteine, glutathione, and D-penicillamine, were studied separately, and it was found that …
Mechanistic Studies Of Co2 Electrochemical Reduction (Co2er) On Cu And Cuo Nanoparticles With In-Situ Atr-Ftir Spectroscopy,
2023
Wilfrid Laurier University
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 …
Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability,
2023
University of Kentucky
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 …
Translating Chemistry, Structure, And Processing To The Solid-State Morphology And Function Of Organic Semiconductors Through Computational Modeling And Simulations,
2023
University of Kentucky
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 …
Intergranular And Pitting Corrosion Mechanisms Of Sensitized Aluminum Alloy Aa5083,
2023
The University of Akron
Intergranular And Pitting Corrosion Mechanisms Of Sensitized Aluminum Alloy Aa5083, Clayton Egleston
Williams Honors College, Honors Research Projects
The motivation and objectives of this project is to examine the mechanisms of intergranular corrosion (IGC) and pitting corrosion of sensitized AA5083. In this regard, different characterization techniques were used, including optical analysis of microstructure, cyclic potentiodynamic polarization with Tafel fitting, electrochemical impedance spectroscopy with electrical equivalent circuit (EEC) fitting, and potentiostatic current transient monitoring. The transition from IGC to pitting corrosion occurs when the grain boundaries become saturated with the β-phase (Mg2Al3). It was found that AA5083 becomes more vulnerable to pitting corrosion as the degree of sensitization increases.
Solid State Nmr Analysis Of Insect Wing Membranes,
2023
West Virginia University
Solid State Nmr Analysis Of Insect Wing Membranes, Samuel Eddy
Graduate Theses, Dissertations, and Problem Reports
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 …
Synthesis Of A Series Of Trimeric Branched Glycoconjugates And Their Applications For Supramolecular Gels And Catalysis,
2023
Old Dominion University
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 …
Synthesis And Self-Assembling Properties Of Carbohydrate- And Diarylethene-Based Photoswitchable Molecular Gelators,
2023
Old Dominion University
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, …
A Comparison Of Tung Oil Resin Reinforcements Using Fibrous Proteins And Peptides For Biological And Materials Applications,
2023
Georgia Southern University
A Comparison Of Tung Oil Resin Reinforcements Using Fibrous Proteins And Peptides For Biological And Materials Applications, Parker L. Williams
Electronic Theses and 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 …
Exploring The Role Of Ring Annulation In Polycyclic Aromatic Hydrocarbons For Organic Electronic Applications,
2023
University of Kentucky
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 …
First Principles Calculations To Investigate Surface And Catalytic Properties Of Materials For Green Energy Generation,
2023
University of Kentucky
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 …
Feasibility Studies For Use Of Copper Slag In Clinker Manufacture,
2022
National Council for Cement and Building Materials, Ballabhgarh, Faridabad, Haryana 121004, India
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 …
Carbon-Al Interface Effect On The Performance Of Ionic Liquid-Based Supercapacitor At 3 V And 65 OC,
2022
1. Department of Chemical Engineering, Tsinghua University, Beijing, 100084, China;
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,
2022
1. Beijing Key Laboratory of Electrochemical Process and Technology for Materials, Key Laboratory of Biomedical Materials of Natural Macromolecules, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, P.R. China;
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 …
Application Of Artificial Intelligence To Lithium-Ion Battery Research And Development,
2022
1. Research Institute of Chemical Defense, Beijing 100191, China;
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 …
Advances On Composite Cathodes For Lithium-Sulfur Batteries,
2022
1. Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China;
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,
2022
1. Beijing Key Laboratory of Environmental Science and Engineering School of Materials Science & Engineering Beijing Institute of Technology Beijing 100081, China;2. Yangtze Delta Region Academy of Beijing Institute of Technology Jiaxing 314019, China;
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 …
Investigating The Electrochemical Behavior Of Dihydropyrrolopyroles For Use As Anodically Coloring Electrochromes,
2022
Kennesaw State University
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 …
Synthesis And Surface Modification Of Azide Decorated Silver Nanoclusters,
2022
The University of Western Ontario
Synthesis And Surface Modification Of Azide Decorated Silver Nanoclusters, Alexander H. Stöckli
Electronic Thesis and Dissertation Repository
In nanocluster research, easy modification of the cluster surface while maintaining the cluster core remains a key challenge. Herein we report the synthesis, structure, and properties of four targeted Ag20 nanoclusters (NCs) with surface azide moieties, two of which have 8 azide moieties, [CO3@Ag20(StBu)10(m-N3-C6H4COO)8(DMF)4] and [CO3@Ag20(StBu)10(p-N3-C6H4COO)8(DMF)4], and two of which have 6 azide moieties, [CO3@Ag20(S …
Synthesis And Electrochemical Characterization Of Alkali Metal Borides As Redox Active Anion Frameworks,
2022
University of New Orleans
Synthesis And Electrochemical Characterization Of Alkali Metal Borides As Redox Active Anion Frameworks, Michael R. Shabetai
University of New Orleans Theses and Dissertations
Redox activity in intercalation cathodes is commonly attributed to changes in oxidation states of transition metal ions. Recently, a growing body of evidence revealed that the redox activity of oxygen contributes to the capacity of some known cathodes. We focused on designing an oxygen free intercalation cathode with redox-active anions. In order to overcome the entropic driving force for the decomposition of a charged redox active anion cathode, we looked for chemistries with solid (no gases) possible decomposition products. Additionally, the involvement of anions in a network of covalent bonds with shared electrons was considered as a possible way for …
