Chemistry Commons^™

Spectroscopic Studies Of Metal Containing Molecules Under Jet-Cooled Conditions Using Laster-Induced Fluoresence (Lif) And Dispersed Fluorescence (Df) Techniques., Md Touhidul Islam

Electronic Theses and Dissertations

This dissertation examines the jet-cooled spectroscopy of the calcium propoxide radical (CaOC₃H₇) to understand how increasing molecular complexity reshapes symmetry, electronic degeneracy, and vibronic coupling. Moving from Ca–OCH₃ to Ca–OC₃H₇ lowers symmetry (C₃v → Cs → C₁) and exposes effects such as spin–orbit splitting and both Jahn–Teller and pseudo–Jahn–Teller distortions. These features remodel the excited-state potential surfaces and are directly observable with laser-induced fluorescence (LIF) and dispersed fluorescence (DF). A central goal is to evaluate whether CaOC₃H₇ supports the near-diagonal vibronic branching needed for efficient optical cycling, while also highlighting implications for catalysis and astrochemistry, where precise spectral fingerprints guide …

Development Of A Digestion Procedure Using Fe2+ Ions For Electrochemical Detection Of Mno2 Particles In Drinking Water, Kayla Elliott, Sarah Jane Payne, Zhe She

Journal of Electrochemistry

Developing methods for detection contaminants in drinking water is essential to ensuring that safe and acceptable quality drinking water is delivered to consumers. While manganese (Mn) was previously known only as a mere aesthetic issue, recent epidemiological data has shown to have negative neurological effects on humans, especially on children, prompting new health-based guidelines by Health Canada and the World Health Organization. In drinking water, Mn exists predominantly as Mn(II) and Mn(IV), and is regulated based on total Mn levels. Interestingly, measurement of Mn particulate using electroanalytical methods has not yet been reported in the literature. Herein, a digestion procedure …

Biocompatible And Antibacterial Pcl-Tio2@Ag/Γ-Cd Mof Nanocomposite Coating For Corrosion Resistance Of Magnesium Alloy In Simulated Body Fluid, Sara Dehghan-Chenar, Hamid R. Zare, Zahra Mohammadpour, Maryam Sadat Mirbagheri-Firoozabad

Journal of Electrochemistry

Magnesium alloys are promising candidates for bio-implant applications due to their biodegradability and biocompatibility. However, their rapid corrosion remains a critical limitation. This study presents the development of a multifunctional nanocomposite coating designed to enhance the corrosion resistance and antibacterial properties of magnesium alloy implants. The coating comprised γ-cyclodextrin metal-organic frameworks (γ-CD MOFs) decorated with TiO₂@Ag core-shell nanoparticles, embedded in a polycaprolactone (PCL) matrix. Immersion tests in a simulated body fluid (SBF) revealed an initially higher corrosion rate for the PCL-TiO₂@Ag/γ-CD MOF coating compared to the coating without TiO₂@Ag nanoparticles; however, it demonstrated significant …

Regulating Lithium Metal Nucleation And Growth For Dendrite Suppression: From Liquid-Electrolyte To Solid-State Batteries, Ao Du, Juan Zhang, Pan Xu, Ya-Jie Li, Kang-Yu Yi, Zhen-Zhen Shen, Hui-Lin Ge, Guang-Wen Zhang, Chao-Hui Zhang, Yu-Hao Wang, Chen-Zi Zhao, Meng-Yang Xu, Yu-Lin Jie, Rui Wen, Shu-Hong Jiao, Si-Qi Shi, Qiang Zhang, Chun-Peng Yang, Yu-Guo Guo

Journal of Electrochemistry

Lithium metal anodes, with a theoretical capacity of up to 3860 mAh·g⁻¹, are regarded as the cornerstone for developing next-generation high-energy-density batteries. However, several key challenges hinder their practical applications, including dendrite formation, unstable solid electrolyte interphase (SEI), side reactions with electrolytes, and associated safety risks. This review systematically explores the mechanisms of lithium nucleation, growth, and stripping in both liquid and solid-state battery systems, analyzing critical theoretical concepts like heterogeneous nucleation thermodynamics, surface diffusion kinetics, space charge effects, and SEI-induced nucleation, which are crucial for understanding the genesis of dendrite growth. Additionally, the review discusses the electrochemical-mechanical …

Experimental And Anharmonic Theoretical Spectroscopic Benchmarks Of Nitrogenated And Doubly-Nitrogenated Polycyclic Heterocycles, Selma Bejaoui, Brant E. Billinghurst, Christiaan Boersma, Vincent J. Esposito

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

In this study, we report the first high-resolution gas-phase infrared absorption spectra and anharmonic vibrational simulations for three nitrogenated aromatic molecules, namely indole (C₈H₇N), 1,5-diazabicyclo[4.3.0]non-5-ene (DBN; C₇H₁₂N₂), and 1,8- diazabicyclo[5.4.0]undec-7-ene (DBU; C₉H₁₆N₂) with excellent agreement between measurement and computation. Anharmonic cascade emission spectra (2–8 eV) of the three systems show that nitrogen substitution strongly modifies the emission spectra: indole reproduces the unidentified 3.3 μm emission in Titan’s atmosphere, while DBN and DBU exhibit redshifted aliphatic C–H stretches. In the 5–10 μm region, …

Development Trends And Priority Research Fields Of Electrochemical Discipline In The 15th Five Year Plan Period, Lin Zhuang, Wen-Bin Cai, Heng-Xing Ji, Qing Li, Gong-Wei Wang, Sen Xin, Qing Zhao, Fang-Yi Cheng, Yu-Guo Guo, Lan-Qun Mao, Yang Tian, Fei Wu, Li-Min Zhang, Yan Xiang, Jin-Song Hu, Rui Cao, Li Xiao, Hua-Bing Tao, Wei Xing, Dong-Ping Zhan, Hong-Gang Liao, Mei-Ling Xiao, Bin Ren, Zhang-Quan Peng, Rui Wen, Xiang Wang, Yue-Feng Song, Hou-Fu Lv, Bao-Yu Xia, Guo-Xiong Wang, Jun Cheng, Zhi-Pan Liu, Min Zhou, Bing Huang, Cun-Pu Li, Yu-Qin Zou, Shuang-Yin Wang, Hai-Bo Lin, Zi-Dong Wei

Journal of Electrochemistry

In fulfillment of the national science-and-technology development agenda, the Department of Chemical Sciences of the National Natural Science Foundation of China (NSFC) convened the Strategic Symposium on the Fifteenth Five-Year (2026–2030) Development Plan for Electrochemistry held in Xiamen on 29 August, 2025—the culminating year of the Fourteenth Five-Year (2021–2025) Development Plan. More than forty leading experts in the field of electrochemistry participated with spanning nine thematic fronts: Interfacial Electrocatalysis, Interfacial Electrochemistry for Energy Storage, Bioelectrochemistry, Electrochemistry of Hydrogen Energy, Electrochemical Micro-/Nano-Manufacturing, Operando Electrochemical Characterization, Electro-Thermal Coupling Catalysis, Theoretical and Computational Electrochemistry, and Electrochemical Synthesis. The forum assembled China’s foremost electrochemical …

High-Voltage Solid-State Lithium Batteries: A Review Of Electrolyte Design, Interface Engineering, And Future Perspectives, Cheng Yang, Zi-Xin Liang, Ming-Yun Zhang, Ming-Zhe Chen, Kai Zhang, Li-Min Zhou

Journal of Electrochemistry

Solid-state lithium batteries have become a research hotspot in the field of large-scale energy storage due to their excellent safety performance. The development of high-voltage positive electrode materials matched with lithium metal anode have advanced the energy density of solid-state lithium batteries close to or even exceeding that of lithium batteries based on a liquid electrolyte, which is expected to be commercialized in the future. However, in high voltage conditions (> 4.3 V), the decomposition of electrolyte components, structural degradation, and interface side reactions significantly reduce battery performance and hinder its further development. This review summarizes the latest research progress …

Strategies For Obtaining High-Performance Li-Ion Solid-State Electrolytes For Solid-State Batteries, Yi-Cheng Deng, Zi-Chang You, Geng-Zhong Lin, Guo Tang, Jing-Hua Wu, Zhi-Min Zhou, Xiang-Chun Zhuang, Li-Xuan Yang, Zhen-Jie Zhang, Zhao-Yin Wen, Xia-Yin Yao, Chang-Hong Wang, Qian Zhou, Guang-Lei Cui, Ping He, Hui Li, Xin-Ping Ai

Journal of Electrochemistry

With the widespread adoption of lithium-ion batteries (LIBs), safety concerns associated with flammable organic electrolytes have become increasingly critical. Solid-state lithium batteries (SSLBs), with enhanced safety and higher energy density potential, are regarded as a promising next-generation energy storage technology. However, the practical application of solid-state electrolytes (SSEs) remains hindered by several challenges, including low Li⁺ ion conductivity, poor interfacial compatibility with electrodes, unfavorable mechanical properties and difficulties in scalable manufacturing. This review systematically examines recent progress in SSEs, including inorganic types (oxides, sulfides, halides), organic types (polymers, plastic crystals, poly(ionic liquids) (PILs)), and the emerging class of soft …

Collisional Excitation Of Hcn By Co To Refine The Modeling Of Cometary Comae, Francesca Tonolo, Ernesto Quintas-Sánchez, Adrian Batista-Planas, Richard Dawes, François Lique

Chemistry Faculty Research & Creative Works

We present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5–50 K. It includes both state-to-state rate coefficients involving the lowest ten and nine rotational levels of HCN and CO, respectively, and the so-called "thermalized" rate coefficients over the rotational population of CO at each kinetic temperature. The derivation of these coefficients exploited the good performance of the statistical adiabatic channel model (SACM) on top of an accurate interaction potential computed at the CCSD(T)-F12b/CBS level of theory. The reliability …

Revisiting The Spin–Lattice Relaxation Of Homonuclear In-Phase And Antiphase Nmr Magnetization, Lauren M. Kehoe, Zachary G. Mayes, Kelsey E. Brakensiek, Emma L. Ellis, Adam J. Alderfer, Lingyu Chi, Klaus Woelk

Chemistry Faculty Research & Creative Works

Hyperpolarization techniques such as dynamic nuclear polarization (DNP), chemically induced dynamic nuclear polarization (CIDNP), and parahydrogen-induced polarization (PHIP) enhance the sensitivity of NMR spectroscopy and MRI, but the associated antiphase magnetization patterns often relax faster than those of conventional in-phase signals. This study analyzes the spin–lattice relaxation matrix for single-quantum transitions in an isolated, weakly coupled two-spin AX system to identify eigenvectors and eigenvalues that govern the time evolution of in-phase and antiphase longitudinal magnetization. The analysis predicts that AX antiphase magnetization, such as that generated by PHIP hydrogenations in high magnetic field, can relax up to twice as fast …

Adsorption Of Cu(Ii) Ions From Aqueous Solutions Using A Magnetite Biochar Composite Material, Widi Aprilia Ta'bi, Paulina Taba, Abdul Wahid Wahab, Maming Gappa, Muhammad Zakir, Nur Umriani Permatasari

Makara Journal of Science

Water contamination from heavy metals, such as Cu(II) ions, poses severe threats to human health and the environment. This necessitates the development of efficient and eco-friendly treatment methods. In this study, a magnetite–biochar composite (MBC) was developed as an effective adsorbent for reducing Cu(II) ions from liquid waste. Biochar was produced through the pyrolysis of water hyacinth at 500 °C, while magnetite was synthesized using FeSO₄·7H₂O and FeCl₃·6H₂O with molar ratio of 1:2. The MBC was formed using a co-precipitation method and characterized by Fourier transform Infrared (FTIR) spectroscopy, X-ray diffraction (XRD), Brunauer–Emmett–Teller, and vibration sample magnetometer instruments. FTIR analysis …

Bridging Materials And Energy Storage Mechanisms In Zn-I2 Batteries, Rong-Qi Liu, Wen-Shuo Shang, Jin-Tao Zhang

Journal of Electrochemistry

Zinc-iodine (Zn-I₂) batteries have emerged as a compelling candidate for large-scale energy storage, driven by the growing demand for safe, cost-effective, and sustainable alternatives to conventional systems. Benefiting from the inherent advantages of aqueous electrolytes and zinc metal anodes, including high ionic conductivity, low flammability, natural abundance, and high volumetric capacity, Zn-I₂ batteries offer significant potential for grid-level deployment. This review provides a comprehensive overview of recent progress in three critical domains: positive-electrode engineering, zinc anode stabilization, and in situ characterization methods. On the cathode side, anchoring iodine to conductive matrices effectively mitigates polyiodide shuttling and enhances …

Series Reports From Professor Wei’S Group Of Chongqing University: Advancements In Electrochemical Energy Conversions (2/4): Report 2: High-Performance Water Splitting Electrocatalysts, Ling Zhang, Wang-Yang Wu, Qiu-Yue Hu, Shi-Dan Yang, Li Li, Rui-Jin Liao, Zi-Dong Wei

Journal of Electrochemistry

The unavailability of high-performance and cost-effective electrocatalysts has impeded the large-scale deployment of alkaline water electrolyzers. Professor Zidong Wei’s group has focused on resolving critical challenges in industrial alkaline electrolysis, particularly elucidating hydrogen and oxygen evolution reaction (HER/OER) mechanisms while addressing the persistent activity-stability trade-off. This review summarizes their decade-long progress in developing advanced electrodes, analyzing the origins of sluggish alkaline HER kinetics and OER stability limitations. Professor Wei proposes a unifying “12345 Principle” as an optimization framework. For HER electrocatalysts, they have identified that metal/metal oxide interfaces create synergistic “chimney effect” and “local electric field enhancement effect”, enhancing selective …

Local Electric Fields Coupled With Cl− Fixation Strategy For Improving Seawater Oxygen Reduction Reaction Performance, Yu-Rong Liu, Miao Zhang, Yan-Hui Yu, Ya-Lin Liu, Jing Li, Xiao-Dong Shi, Zhen-Ye Kang, Dao-Xiong Wu, Peng Rao, Ying Liang, Xin-Long Tian

Journal of Electrochemistry

Development of robust electrocatalyst for oxygen reduction reaction (ORR) in a seawater electrolyte is the key to realize seawater electrolyte-based zinc-air batteries (SZABs). Herein, constructing a local electric field coupled with chloride ions (Cl⁻) fixation strategy in dual single-atom catalysts (DSACs) was proposed, and the resultant catalyst delivered considerable ORR performance in a seawater electrolyte, with a high half-wave potential (E_1/2) of 0.868 V and a good maximum power density (Pmax) of 182 mW·cm⁻² in the assembled SZABs, much higher than those of the Pt/C catalyst (E_1/2: 0.846 V; Pmax: 150 mW·cm^{−2 …}

Significantly Enhanced Oxygen Reduction Reaction Activity In Co-N-C Catalysts Through Synergistic Boron Doping, Chang Lan, Jing-Sen Bai, Xin Guan, Shuo Wang, Nan-Shu Zhang, Yu-Qing Cheng, Jin-Jing Tao, Yu-Yi Chu, Mei-Ling Xiao, Chang-Peng Liu, Wei Xing

Journal of Electrochemistry

The weak adsorption energy of oxygen-containing intermediates on Co center leads to a considerable performance disparity between Co-N-C and costly Pt benchmark in catalyzing oxygen reduction reaction (ORR). In this work, we strategically engineer the active site structure of Co-N-C via B substitution, which is accomplished by the pyrolysis of ammonium borate. During this process, the in-situ generated NH₃ gas plays a critical role in creating surface defects and boron atoms substituting nitrogen atoms in the carbon structure. The well-designed CoB₁N₃ active site endows Co with higher charge density and stronger adsorption energy toward oxygen species, …

The Effect Of Ozone Treatment On The Quality Of Biodiesel From Waste Cooking Oil, Sri Redjeki Setyawati, Singgih Wibowo

Makara Journal of Science

This research demonstrates the successful production of biodiesel from waste cooking oil (WCO) using the transesterification method. A methoxide solution, formed by employing a base catalyst and alcohol, facilitated the conversion of triglycerides into methyl esters and glycerol as the byproduct. The conversion process yielded 74% biodiesel and 13.5% glycerol content, with the remaining proportion consisting of water and contaminants. The application of ozone (O₃) aeration proved effective in reducing contaminants—such as alcohol, unreacted catalysts, food residues and water—by approximately 60%. Furthermore, Fourier transform infrared (FTIR) testing affirmed that the biodiesel product—treated with O₃ aeration—maintained its original …

The Quality Of Bio-Pellets Made By Combining Walnut Kernel Shells (Canarium Indicum L.) From Bogor, Indonesia, And Palm Kernel Shells As Renewable Energy, Ani Iryani, Linda Jati Kusumawardani, Ronaldo Juniansyah

Makara Journal of Science

Using biomass as an energy source helps overcome the declining supply of fossil fuels. Bio-pellets—an energy product made from biomass—is one option that can be utilized. One source of biomass energy is walnut kernel shells. The walnut plant (Canarium indicum L.) is a forest tree grown in eastern Indonesia. The walnut plant is also located in the GOR Pajajaran area of Bogor City and has not been utilized for energy production. This study consists of three stages: 1) raw material preparation, 2) bio-pellet production, and 3) bio-pellet characterization in accordance with the Indonesian National Standard (SNI) 8951:2020. Based on …

Investigation Of The Physicochemical Behaviour Of Acidum Citricum Homoeopathic Dilutions At Temperatures From 293.15 K To 318.15 K By Using Volumetric, Acoustic And Viscometric Methods, Anil Kumar Nain, Neha Chaudhary, Raj Kumar Manchanda, Debadatta Nayak

Indian Journal of Research in Homoeopathy

Background: The physicochemical properties of homoeopathic medicines have been gaining importance in elucidating the physicochemical behaviour (interactions) and, hence in establishing the presence of medicine at ultra-high dilutions. Objective: The present study is aimed to reconnoiter the existence of drug in ultra-diluted medicines and evidence regarding the physicochemical behaviour and prevailing interactions in the dilutions of Acidum citricum. Materials and Methods: The densities (ρ), ultrasonic speeds (u) and viscosities (η) of pure ethanol control (91% ethanol in water) and 33 dilutions of Acidum citricum of potencies across 1C to 200C at temperatures from …

Unveiling The Interplay Of Electronic And Phononic Excitations In Laser-Induced Oxygen Activation On Ru(0001), Xiangrui Wang, Jiamin Wang, Paul Spiering, Liping Liu, Jörg Meyer, Jerry L. Larue, Hongliang Xin

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Understanding laser-induced dynamics on metal surfaces poses significant challenges due to the intricate interplay between electronic and phononic degrees of freedom, which evolve on distinct timescales. In this study, we introduce a machine learning-accelerated approach to molecular dynamics simulations that incorporates anisotropic electronic friction, providing deeper insights into these complex processes. Our framework extends the accessible time and length scales for nonadiabatic dynamics simulations, enabling a detailed investigation of the laser-induced activation of oxygen on the Ru(0001) surface. Statistical analysis reveals that strong electronic excitation dominates the first 800 fs after laser exposure. Beyond this timescale, energy deposited by electronic …

A Comparison Of Shear Bond Strength Of Denture Teeth To Denture Base Using Different Means Of Retention: An In Vitro Pilot Study, Dima Taha El Baba, Paul Boulos

International Arab Journal of Dentistry

Objectives: The objective of this work is to evaluate the shear bond strength between denture base resin and three different acrylic artificial denture teeth. The latter was subjected to three different surface modifications on the ridge lap area and compared to unmodified acrylic artificial denture teeth.

Methods: In this experimental in vitro study, twenty-four maxillary central incisor acrylic teeth were used from each of three manufacturers; namely Major®, Ivoclar® and Myerson®. The teeth were additionally divided into four test groups with six specimens in each: a control group, a chemical retention group, a mechanical retention group, and a …

An Experiment In Electron Paramagnetic Resonance Spectroscopy For Undergraduate Labs In Physical Chemistry Or Physical Biochemistry, Evan A. Old, Matthew C. Rehak, Jefferson C. Thompson, Herbert J. Sipe Jr.

TeachEPR Submissions

We report a biochemically based EPR experiment for undergraduate laboratories that will serve as instruction for learning EPR sample preparation, spectral observation, and spectral analysis. There is a current lack of EPR instructional experiments that present complex spectra in which computational analysis may be required. The biochemical oxidation system of horse radish peroxidase (HRP) activated by H₂O₂ acts on 2,6-di-t-butyl-4-hydroxyanisole (DTBHA) to form phenoxyl radicals. This experiment produces moderately complex spectra of moderately long-lived radicals using relatively small amounts of readily available reactants. Spectrum analysis and simulation is accomplished using software freely available on-line. If desired, EPR …

High-Capacity, Reversible, And Energy-Efficient Water Vapor Sorption By Hierarchical Micro-To-Macroporous Carbon Aerogels From Polybenzoxazine And Polybenzodiazine, Vaibhav A. Edlabadkar, Rushi U. Soni, Stephen Y. Owusu, A. B.M.Shaheen Ud Doulah, Nicholas Leventis, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

Quantitative, reversible water vapor sorption is in rising demand for applications ranging from home appliances to atmospheric water harvesting. However, most sorbents suffer from low water-uptake capacities, nonreusability, and especially high regeneration temperatures. This study addresses this challenge by introducing polybenzoxazine- (PBO) and polybenzodiazine-derived (PBDAZ) carbon aerogels as reversible high-capacity desiccants. PBO and PBDAZ aerogels were prepared from structurally related monomers via HCl-catalyzed ring opening polymerization. Both types of aerogels were first aromatized at 200–240 °C under air or O2 and then were carbonized at 800 °C under Ar. These as-prepared carbon aerogels were further etched at 1000 °C under …

Low-Cost Cutaneous Protoporphyrin Ix (Ppix) Detection (Cpd) Device For Follow-Up Monitoring Of Patients After Photodynamic Therapy, Md Asaduzzaman Rasel

Graduate Masters Theses

Background: Photodynamic Therapy (PDT) utilizes specific wavelengths of light to activate photosensitizing chemical compounds, known as photosensitizers, which induce the generation of cytotoxic reactive oxygen species (ROS) for the targeted destruction of cancer cells. Among various photosensitizers for PDT, Protoporphyrin IX (PpIX) is widely employed in oncology and dermatology due to its natural in situ generation via the metabolic conversion of 5- aminolevulinic acid (ALA), a non-phototoxic prodrug. Systemic administration of ALA after 3-6 hr drug delay leads to peak PpIX accumulation in tissues, facilitating therapeutic and diagnostic applications. However, PpIX can persist in the skin for 24–48 hours post-treatment, …

Superhydrophilic Porous Coooh Nano-Architecture With Abundant Oxygen Vacancies For Enhanced Urea Electrooxidation At Ampere-Level Current Densities, Wen-Jing Lv, Xiao-Man Tang, Xue-Tong Wang, Wen-Cai Liu, Jian-Wen Zhu, Guo-Jing Wang, Yuan-Zhi Zhu

Journal of Electrochemistry

The conversion of urea-containing wastewater into clean hydrogen energy has gained increasing attention. However, challenges remain, particularly with sluggish catalytic kinetics and limited long-term stability of urea oxidation reaction (UOR). Herein, we report the loosely porous CoOOH nano-architecture (CoOOH LPNAs) with hydrophilic surface and abundant oxygen vacancies (O_v) on carbon fiber paper (CFP) by electrochemical reconstruction of the CoP nanoneedles precursor. The resulting three-dimensional electrode exhibited an impressively low potential of 1.38 V at 1000 mA·cm⁻² and excellent durability for UOR. Furthermore, when tested in an anion exchange membrane (AEM) electrolyzer, it required only 1.53 V at …

Structure Regulation Engineering For Biomass-Derived Carbon Anodes Enabling High-Rate Dual-Ion Batteries, Rui Zhou, Rui Liu, Yun-Nuo Li, Si-Jie Jiang, Tian-Tian Jing, Yan-Song Xu, Fei-Fei Cao

Journal of Electrochemistry

Dual-ion batteries (DIBs) usually use carbon-based materials as electrodes, showing advantages in high operating voltage, potential low cost, and environmental friendliness. Different from conventional “rocking chair” type secondary batteries, DIBs perform a unique working mechanism, which employ both cation and anion taking part in capacity contribution at an anode and a cathode, respectively, during electrochemical reactions. Graphite has been identified as a suitable cathode material for anion intercalation at high voltages (> 4.8 V) with fast reaction kinetics. However, the development of DIBs is being hindered by dynamic mismatch between a cathode and an anode due to sluggish Li^{+ …}

Design And Optimization Of Anode Catalysts For Direct Ethanol Fuel Cells: Advances And Challenges In C-C Bond Activation And Selective Modulation Of The C1 Pathway, Kai-Chi Qin, Meng-Tian Huo, Yu Liang, Si-Yuan Zhu, Zi-Hao Xing, Jin-Fa Chang

Journal of Electrochemistry

Direct ethanol fuel cells (DEFCs) are a promising alternative to conventional energy sources, offering high energy density, environmental sustainability, and operational safety. Compared to methanol fuel cells, DEFCs exhibit lower toxicity and a more mature preparation process. Unlike hydrogen fuel cells, DEFCs provide superior storage and transport feasibility, as well as cost-effectiveness, significantly enhancing their commercial viability. However, the stable C–C bond in ethanol creates a high activation energy barrier, often resulting in incomplete electrooxidation. Current commercial platinum (Pt)- and palladium (Pd)-based catalysts demonstrate low C–C bond cleavage efficiency (

Effect Of Saccharin On Crystallization Behavior Of Electroless Cobalt Plating, Yu-Xin Luo, Jing-Jing Wang, Lu Wang, Zi-Yi Yan, Yi Ma, Xin Bo, Jing-Shuang Dang, Zeng-Lin Wang

Journal of Electrochemistry

In the process of electroless cobalt plating, the saccharin additive can significantly change the surface morphology, texture orientation, and conductivity of the cobalt coating layer. When the amount of saccharin was 3 mg·L^–1, the cobalt coating transformed from disordered large grains to a honeycomb structure, with a preferred orientation of (002) facet on hexagonal close-packed (HCP) cobalt crystals. The resistivity of the cobalt film decreased to 14.4 μΩ·cm, and further decreased to 10.7 μΩ·cm after the annealing treatment. When the concentration of saccharin was increased, the grain size was gradually refined and a “stone forest” structure was observed, …

Simulating Chemiluminescence Spectra Of Oh Radical Using Quantum Dynamical Simulations, Triet M. Cao

Research from the Berry Summer Thesis Institute, 2025

Chemiluminescence is a phenomenon of light emission that occurs when molecules transition from an excited state to the ground state. This phenomenon is widely utilized in applications ranging from quantifying product yields in chemical reactions to biological imaging and atmospheric chemistry studies. It has also been used in many crucial applications in the scarce conditions of heat and electricity, such as light sources for astronomy discovery or deep-sea diving. A notable example of such reactions is combustion, where highly reactive hydroxyl radicals (OH) are products. These radicals exhibit a chemiluminescence spectrum because of the interaction between their ground state and …

Characterization Of L-Band Resonators And Relaxation Times Of Soₓ- Radicals At X-Band, Georgina Naa Odey Amassah

Electronic Theses and Dissertations

Electron Paramagnetic Resonance (EPR) analysis requires resonators optimized for specific experimental challenges. Volume resonators enclose samples, while surface coil resonators allow imaging of larger subjects. For in vivo studies, L-band frequencies are commonly used because they offer a good balance between signal-to-noise ratio (S/N) and the ability to penetrate tissue. Rapid Scan (RS) EPR at L-band frequencies was chosen for my studies of resonators because of this balance but presents a challenge for sensitivity.

The spatial position dependence of signal intensity was evaluated for selected paramagnetic samples using 10 mm and 30 mm surface coils. The 10 mm coil, with …

Efficient Decontamination Of Organophosphate-Based Pesticides And Nerve Agent Simulants Mediated By N-Containing Nucleophiles, Emmanuel Kingsley Darkwah, Puspa Aryal, Saidulu Todeti, Jared Kenik, Samuel Insall, V. Prakash Reddy, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

There is a growing interest in developing safer and more effective decontaminating agents for organophosphate-based pesticides and nerve agents. In this study, we present an effective method for the nonaqueous decontamination of these compounds using small-molecule-based decontaminating agents under ambient conditions. Our approach utilizes aryl and heteroaryl carboxaldehyde hydrazones and hydrazides to effectively hydrolyze nerve agent simulants into their nontoxic degradation products. The effectiveness of this method was evaluated using a range of nerve agent simulants, including dimethyl 4-nitrophenyl phosphate (DMNP), dimethyl methyl phosphonate (DMMP), and triphenyl phosphate (TPhP). In the presence of the heteroaryl hydrazone, the rate of hydrolysis …