Physical Chemistry Commons^™

Synthesis, Characterization, And Catalytic Activity Of Copper Palladium Oxide Solid Solutions., Gregory L. Christensen

Department of Chemistry: Dissertations, Theses, and Student Research

Cu_xPd_1-xO forms a homogeneous solid solution over the wide range of 0 ≤ x ≤ 0.725 in which compositional variation can be correlated with structural and chemical environmental changes. After a small lag at low Cu²⁺ concentrations, where the lattice cell parameters are pinned to that of the pure PdO structure, Cu_xPd_1-xO lattice parameters follow Vegard’s law in which the cell volume decreases linearly with x, indicating a homogenous solution in which Cu²⁺ randomly replaces the larger Pd²⁺ cation. The crystal structure also undergoes an increase in the c/a …

Computational Quantum Chemistry Studies Of The Interactions Of Amino Acids Side Chains With The Guanine Radical Cation., Edward Acheampong

Electronic Theses and Dissertations

Guanine is generally accepted as the most easily oxidized DNA base when cells are subjected to ionizing radiation, photoionization or photosensitization. At pH 7, the midpoint reduction potential is on the order of 0.2 – 0.3 V higher than those of the radicals of e.g. tyrosine, tryptophan cysteine and histidine, so that the radical “repair” (or at least, a thermodynamically favorable reaction) involving these amino acids is feasible. Computational quantum studies have been done on tyrosine, tryptophan, cysteine and histidine side chains as they appear in histones. Density functional theory was employed using B3LYP/6-31G+ (d, p) basis set to study …

Global Minimum Search And Carbon Monoxide Binding Studies Of Novel Gold Nanoclusters, Navneet S. Khetrapal

Department of Chemistry: Dissertations, Theses, and Student Research

In bulk form, gold is a well-known noble metal. However, gold nanoparticles exhibit remarkable catalytic behavior towards various types of chemical reactions. These catalytic properties are highly dependent upon the size and shape and therefore knowledge of the geometries of these nanoparticles is of prime importance. The main goal of this dissertation is, therefore, going to be towards the elucidation of the structures of novel gold clusters using a combined experimental and theoretical approach and subsequent modeling to explore the binding of simple substrates like carbon monoxide with gold clusters. The theoretical method used to study the structural evolution of …

Spontaneity, Carl W. David

Chemistry Education Materials

An attempt is made to better understand thermodynamic spontaneity.

Development Of Functional Chemical Probes For The Study Of Viscosity, Fe(Ii), And Ferroptosis And Photo-Triggered Drug Delivery, Yongyi Wei

Chemistry and Chemical Biology ETDs

Small molecule probes are useful tools for the study of biology. In particular, the dye derived fluorescence probes enable to spatiotemporally monitor the events of analytes of interest. The noninvasive feature is particularly attractive for the biological studies in live cells. The challenge is to develop chemical probes capable of detection of the analyte of interest with high specificity.

Toward this end, my Ph. D. study centers on the development of novel chemical probes for the study and understanding of the alternation of important cellar contents and substances and their functions and relationship between normal and disease states. In the …

The Legendre Transformation For Beginning Thermodynamics Students, Carl W. David

Chemistry Education Materials

The Legendre Transform, as traditionally taught in introductory Physical Chemistry classes, can be better understood with some simple examples, which are discussed herein.

Synthesis, Characterization And Application Of Structurally Diverse Poly(Chalcogenylene Vinylene)S, Zhen Zhang

Chemistry and Chemical Biology ETDs

Conjugated polymers have found widespread applications in flexible and printable electronic devices, among which poly(thienylene vinylene) (PTV) displays outstanding optoelectronic properties and promising applications. However, further studies of its structure-property-function relationship have been greatly impeded mainly due to the synthetic difficulty of generating new structures beyond its rudimentary form.

To further investigate this class of material, I have developed a facile methodology for the preparation of structurally diverse poly(chalcogenylene vinylene)s (PCVs) through a combination of acyclic diene metathesis (ADMET) polymerization and post-polymerization modification techniques. Specifically, a series of halogenated and cross-conjugated PCVs have been designed and synthesized, followed by complete …

Recent Process In Transition-Metal-Oxide Based Catalysts For Oxygen Reduction Reaction, Yao Wang, Zi-Dong Wei

Journal of Electrochemistry

Transition metal oxides (TMOs) based catalysts have become the most promising catalysts to be employed in anion exchange membrane fuel cell for the sluggish oxygen reduction reaction (ORR). However, their ORR activity is still far from that of the Pt-based catalysts. Therefore, it is important to develop high performance TMO based catalysts. Electrical conductivity and intrinsic activity have been regarded as the two keys to affect the ORR activity of the TMOs based catalysts. In this review, we focused on the recent progresses in the fundamental viewpoints on the electrical conductivity and intrinsic activity of the TMOs based ORR catalysts. …

Conference Information, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Preparation Of Nanoprobes And Their Possible Applications In Nanoscale Scanning Electrochemical Microscopy For Studying Electrocatalytic Oxygen And Hydrogen Reactions, Xing-Xing Chen

Journal of Electrochemistry

Scanning electrochemical microscopy (SECM) is a type of scanning probe microscopy, which can not only provide the topographical information, but also offer the electrochemical properties of different samples. The interrelationship of physical and electrochemical properties of a sample can be searched at a high-resolution scale due to the introduction of ultramicroelectrode (UME). With the continuous development of modern nanotechnology, the SECM probe has been improved with drastically decreasing its size down to nanometer. Meanwhile, to evaluate and understand the electrochemical performance of various electrocatalysts for both oxygen and hydrogen reactions with high-efficiency is highly demanded in the research area of …

Recent Advances In Continuous Models Of Electrochemical Supercapacitors, Hao-Tian Lu, Jing-Hong Zhou, Guang-Hua Ye, Xing-Gui Zhou

Journal of Electrochemistry

Electrochemical capacitors (supercapacitors) have been developed as a new type of energy storage device with high energy and power densities, which have the advantages of both fast charging-discharging as traditional capacitors and high energy density as batteries. Notable improvements in their electrochemical performance have been achieved in recent years owing to the recent advances in understanding of charge storage mechanisms and the development of advanced nanostructured materials. Recently, modeling and simulation of these supercapacitors has been applied as a useful approach to better understand the working mechanisms of the supercapacitors by describing the concentrations and electric fields inside the capacitors. …

Recent Advances In Non-Noble Metal Nanomaterials For Oxygen Evolution Electrocatalysis, Dan-Dan Zhao, Nan Zhang, Ling-Zheng Bu, Qi Shao, Xiao-Qing Huang

Journal of Electrochemistry

Hydrogen is a kind of renewable energies with the merits of environmentally friendly, abundance and high weight energy density, which can replace the fossil energy. The electrolysis of water is regarded as the most effective way to generate hydrogen. Owing to the sluggish kinetics and large overpotential of the anode oxygen evolution reaction (OER), the efficiency of the cathode hydrogen evolution reaction is greatly limited. Therefore, it is highly desirable to explore efficient, stable and low cost electrocatalysts to reduce the overpotential of OER and improve the efficiency of hydrogen evolution. Based on the natural characteristics of non-noble metal catalysts …

Recent Progress In Organic Redox Flow Batteries, Li-Xing Xia, Hao Liu, Lin Liu, Zhan-Ao Tan

Journal of Electrochemistry

Redox flow batteries (RFBs) are promising candidate for balancing instability of grids caused by integration of intermittent renewable energies such as solar energy and wind energy. Along with wide deployments in solar energy and wind energy due to abundance and declining installation cost, it can be predicted that RFBs will enter a period of rapid development. Basically,RFBs are electrochemical energy storage devices that decouple energy and power of the system by storing liquid electrolyte in tanks outside battery system itself. Such a unique framework makes RFBs flexible and fulfills the various demands of grids. During battery operation, redox-active species are …

Preface For The Special Issue Of The Award Winners, Shi-Gang Sun

Journal of Electrochemistry

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Research Progresses In Improvement For Low Temperature Performance Of Lithium-Ion Batteries, Yue-Ru Gu, Wei-Min Zhao, Chang-Hu Su, Chuan-Jun Luo, Zhong-Ru Zhang, Xu-Jin Xue, Yong Yang

Journal of Electrochemistry

Lithium-ion batteries (LIBs) have become a new research hotspot due to their high energy density and long service life. However, the temperature characteristics, especially the poor performance at low temperatures, have seriously limited their wider applications. In this report, the research progresses in the low temperature performance of LIBs are reviewed. The main existing limitations of LIBs at low temperatures were systematically analyzed, and followed by discussion on the recent improvements in low temperature performances by developing novel cathode, electrolyte, and anode materials. The developments for improving the low temperature performance of LIBs are prospected. The three most important factors …

An Investigation On The Structure Of Au(111)/Imidazolium-Based Ionic Liquid Interface: Effect Of Alkyl Side Chain Length, Li Chen, Shuai Liu, Mian-Gang Li, Jian-Jia Su, Jia-Wei Yan, Bing-Wei Mao

Journal of Electrochemistry

In this work, we comparatively investigated the interfacial structures at Au(111) electrode surfaces in two ionic liquids (ILs) with different alkyl chain lengths by combining AFM force curve technique and electrochemical methods. The number and stability of the layering structures, and their potential-dependency were analyzed. The experimental results indicated that the tendencies of force-potential curves in the two ILs behave the same way. At potentials close to PZC, the ions arrange loosely, which lowers the stability of the layering structure. As the potential shifting away from PZC, more ions attach to electrode surface, which increases the stability of layering structure, …

Synthesis Of Keggin Polyoxometalates Modified Carbon Paste Electrode As A Sensor For Dopamine Detection, Peng-Fei Dong, Na Li, Hai-Yan Zhao, Min Cui, Cong Zhang, Ju-Jie Ren, Xue-Ping Ji

Journal of Electrochemistry

Polyoxometalates, a class of anionic clusters with structure diversity and size variability, make them very attractive in many fields such as electrochemistry, catalysis and medicine. The Co(C₁₅N₆H₁₂)₂[PW₁₂O₃₈]·5H₂O(Co[PW₁₂O₃₈]) modified carbon paste electrode was prepared in this work, and its electrochemical performances as the sensor for dopamine detection were characterized with electrochemical impedance spectroscopy, cyclic voltammetry and differential pulse voltammetry. The preparation conditions and test conditions were optimized respectively. Under the optimized conditions, the POMs modified carbon paste electrode exhibited good selectivity and sensitivity …

Effects Of Sulfur-Containing Additive On Low Temperature Performance Of Graphite Anode, Ze-Li Wu, Ye-Zhen Zheng, Zhong-Ru Zhang, Yong Yang

Journal of Electrochemistry

The low temperature performance of lithium ion battery mainly depends on the graphite anode, and one of the research focuses is to improve the low temperature performance of the anode by additives. In this paper, the effects of different sulfur-containing functional groups such as DTD (ethylene sulfate), 1,3-PS (1,3-propane sultone) and ES (ethylene sulfite) on low temperature performances of artificial graphite materials were systematically studied. The results in density functional theory (DFT) calculations, cyclic voltammetry (CV), scanning electron microscopy (SEM) and charge-discharge measurement clearly demonstrated that all three sulfur-containing additives could participate in formation of films on the surface of …

Electrodeposition Of Cobalt From Eutectic-Based Ionic Liquid, Rostom Ali M., Sankar Saha S, Ziaur Rahman Md

Journal of Electrochemistry

The electrodeposition of cobalt from a solution containing cobalt chloride in either a urea-choline chloride based or an ethylene glycol (EG)-choline chloride based ionic liquid has been carried out onto copper and steel cathodes by constant current and constant potential methods at different temperatures. The influences of various experimental conditions on electrodeposition and morphology of the deposited layers have been investigated by scanning electron microscopy (SEM) and X-ray diffraction (XRD)technique. It has been shown that the smooth, shiny with good adherence and bright metallic coloured cobalt coatings were obtained from both urea and EG based ionic liquids at the applied …

Electrochemical Deposition Of Cr From Cr(Iii)-Based [Bmim]Hso4 And Naoac Electrolyte, De-Ying Liu, Wei Luo, Wen-Juan Zhang, Shuo-Zhen Hu, Heng Xu, Xin-Sheng Zhang

Journal of Electrochemistry

Using trivalent chromium ions (Cr(III)) as the chromium source for chromium electrodeposition has attracted much attention since it can reduce the toxicity of the whole process. Even though the chromium deposition in Cr(III)-based ionic liquid bath can avoid the most hydrogen evolution problem, CrCl₃·6H₂O is widely used as the Cr(III) precursor, which still contains water and has the stable octahedral structure. As a result, it is difficult to deposit Cr and there is still hydrogen evolution reaction (HER). Moreover, the hydroxyl ions (OH^-) produced during HER react with Cr³⁺ to form Cr(OH)_{3 …}