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Articles 91 - 120 of 4529

Full-Text Articles in Physical Chemistry

Development Status And Existing Problems Of Ion-Solvation Membranes For Electrolysis Of Water, Zheng-Yuan Zhou, Yu-Tao Sun, Zheng-Bang Liu, Chuan-Zheng Wang, Yong-Nan Zhou, Xi Luo, Tian-Chi Zhou, Jin-Li Qiao Jan 2026

Development Status And Existing Problems Of Ion-Solvation Membranes For Electrolysis Of Water, Zheng-Yuan Zhou, Yu-Tao Sun, Zheng-Bang Liu, Chuan-Zheng Wang, Yong-Nan Zhou, Xi Luo, Tian-Chi Zhou, Jin-Li Qiao

Journal of Electrochemistry

Ion-solvaing membranes (ISMs) have received extensive attention in recent years as a key component in electrochemical energy conversion and storage devices. This article provides an overview of structural composition, performance advantages, research progress, ion conduction mechanism and existing issues of ISMs, primarily classifying them according to the matrix structure. A detailed analysis of performance enhancement methods, key performance indicators of ISMs and performance influencing factors is also presented. The article contributes to further optimizing the design and application of ion-solvation membranes, providing theoretical support for the development of fields such as hydrogen production through electrolysis of water and electrochemical energy …

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Iron-Involved Orr Electrocatalysts Under The Lens Of In-Situ/Operando Mössbauer Spectroscopy, Sumbal Farid, Jun-Hu Wang Jan 2026

Iron-Involved Orr Electrocatalysts Under The Lens Of In-Situ/Operando Mössbauer Spectroscopy, Sumbal Farid, Jun-Hu Wang

Journal of Electrochemistry

Exploring cost-effective and efficient catalysts for oxygen reduction reaction (ORR) poses a significant challenge, especially in the pursuit of alternatives to precious metals like platinum. Significant advancements have driven electrochemists to develop efficient ORR catalysts using abundant materials, particularly iron (Fe)-based, known for their exceptional performance in ORR. While the crucial function of Fe in boosting ORR catalytic activity is recognized, the connection between material attributes and catalytic performance remains enigmatic. Understanding the dynamic processes involved in oxygen electrocatalysis is paramount for designing precious-metals-free ORR electrocatalysts. Mössbauer spectroscopy stands out as a powerful technique for deciphering the structural characteristics of …

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The Ntp Anode For Aqueous Sodium Ion Batteries: Recent Advances And Future Perspectives, Ming-Li Wang, Xue-Ying Su, Zheng-Xiang Shan, Shu-Zhe Yang, Heng-Rui Guo, Hao Luo, Dong-Liang Chao Jan 2026

The Ntp Anode For Aqueous Sodium Ion Batteries: Recent Advances And Future Perspectives, Ming-Li Wang, Xue-Ying Su, Zheng-Xiang Shan, Shu-Zhe Yang, Heng-Rui Guo, Hao Luo, Dong-Liang Chao

Journal of Electrochemistry

Aqueous sodium-ion batteries (ASIBs) have attracted great attention in aqueous batteries due to their merit of high safety. However, the constrained work potential and insufficient chemical stability of anode materials in aqueous electrolytes hinder the large-scale application of ASIBs. Sodium titanium phosphate, NaTi2(PO4)3 (NTP), is considered one of the most promising anode materials for ASIBs due to its excellent electrochemical performance and tunable structure. Recently, great achievements have been made in the development of NTP, however, a comprehensive review of existing studies is still lacking. This article firstly introduces the basic properties of NTP and …

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Carbon Supported Octahedral Ptni Nanoparticles (Oct-Ptni/C) As A Cathode Catalyst For Proton Exchange Membrane Fuel Cells (Pemfcs) With Improved Activity And Durability, Zi-Wei Feng, Hai-Zhong Chen, Xiao Duan, Ling Tang, Yun-Kun Zhao, Long Huang Jan 2026

Carbon Supported Octahedral Ptni Nanoparticles (Oct-Ptni/C) As A Cathode Catalyst For Proton Exchange Membrane Fuel Cells (Pemfcs) With Improved Activity And Durability, Zi-Wei Feng, Hai-Zhong Chen, Xiao Duan, Ling Tang, Yun-Kun Zhao, Long Huang

Journal of Electrochemistry

Proton exchange membrane fuel cells (PEMFCs) are considered as a promising renewable power source. However, the massive commercial application of PEMFCs has been greatly hindered by their high expense and less-satisfied performance mainly due to the sluggish oxygen reduction reaction (ORR) kinetics even on state-of-the-art Pt catalyst. Octahedral PtNi nanoparticles (oct-PtNi NPs) with excellent ORR activity in a half-cell have been widely studied, while their performance in membrane electrode assembly (MEA) has much less reported. Herein, we investigated the MEA performance using the carbon supported oct-PtNi NPs (oct-PtNi/C) as the cathode catalyst. Under the mild acid washing condition, the surface …

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Applications For The Quasi-Atomic Orbital And Constrained Density Functional Theory Methods On Catalytic Reactions, Alvaro David Loaiza Orduz Jan 2026

Applications For The Quasi-Atomic Orbital And Constrained Density Functional Theory Methods On Catalytic Reactions, Alvaro David Loaiza Orduz

LSU Doctoral Dissertations

Selective activation of C–O, C–H, and C–C bonds underpins biomass upgrading, alkane functionalization, and CO₂ conversion. Despite their importance, the electronic factors governing catalytic performance remain incompletely understood, and many industrial processes still rely on empirical trends or material-specific observations. This dissertation addresses this gap by applying density functional theory (DFT), thermodynamic decomposition, and electronic-structure analysis to identify unifying principles of reactivity across transition-metal phosphides, vanadate oxides, copper-based electrocatalysts, and mixed IrO₂–RuO₂ layers. This work examines how charge transfer, orbital localization, and ligand-induced perturbations control reaction pathways in diverse catalytic systems. C–O bond scission in 2-methyltetrahydrofuran (MTHF) and methanol was …

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Parameter-Free Determination Of Au Nanorod Dimensions Using Depolarized Dls And Genetic Optimization, Nehal Nupnar, Geofrey Nyabere, Claire M.B. Bolding, Kiril A. Streletzky, Michael J.A. Hore Jan 2026

Parameter-Free Determination Of Au Nanorod Dimensions Using Depolarized Dls And Genetic Optimization, Nehal Nupnar, Geofrey Nyabere, Claire M.B. Bolding, Kiril A. Streletzky, Michael J.A. Hore

Physics Faculty Publications

Gold nanorods (AuNRs) have received considerable attention for their distinctive optical properties and well-defined, low-polydispersity dimensions. These characteristics position them as promising candidates for diverse applications in imaging, sensing, and treating diseases. However, accurate characterization of AuNRs in their native solution state, which is crucial to many applications, presents many challenges─especially if AuNRs are coated with surface layers (e.g., surfactants or grafted polymers). When applied to AuNRs with functionalized surfaces, common techniques such as transmission electron microscopy (TEM), small-angle scattering, and dynamic light scattering (DLS) can present limitations such as small sample sizes, the inability to detect light elements, a …

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Efficient Organic Molecular Crystal Structure Prediction Using The Density Functional Tight-Binding Method, Maureen M. Kitheka, Yan Jing, Yan Yao, Puja Goyal Jan 2026

Efficient Organic Molecular Crystal Structure Prediction Using The Density Functional Tight-Binding Method, Maureen M. Kitheka, Yan Jing, Yan Yao, Puja Goyal

Faculty Publications – Chemistry

Over the years, computational crystal structure prediction (CSP) for organic molecules has thrived as an area of research, spanning various scientific disciplines and having significant applications in industries such as pharmaceuticals and agrochemicals. Within the field of batteries, redox-active organic materials (ROMs) such as quinones have received increased attention as promising electrode materials for rechargeable batteries. However, experimental determination of the crystal structure of intermediate species formed during the discharge/charge cycle can often be challenging. Incomplete X-ray diffraction patterns can also lead to difficulties in crystal structure determination for ROMs used in batteries. Use of a semiempirical electronic structure method …

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Theoretical Study Of Long-Range Molecular Interactions, Adrian Luis Batista-Planas Jan 2026

Theoretical Study Of Long-Range Molecular Interactions, Adrian Luis Batista-Planas

Doctoral Dissertations

Describing intermolecular forces is fundamental to modeling and predicting the behavior of molecular systems. In particular, long-range molecular interactions—with electrostatic, induction, and dispersion as main components—play a critical role, especially for low-temperature and low-density regimes. Long-range interactions are often described through perturbation theory, representing the electronic charge distribution via multipolar series of the moments and polarizability tensors corresponding to each molecule. However, while the theory is well-established, obtaining the resulting analytical expressions (and their practical implementation) constitutes a highly complex and system-dependent task. To address this challenge, we developed Long-Range-Fit (LRF), an interactive and user-friendly software package designed to automate …

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Synthesis And Characterization Of Polymethylhydrosiloxane-Based Materials: Environmental Remediation, Unusual Oxidative Behavior, And Kinetic Analysis, Hannah M. Hayes Jan 2026

Synthesis And Characterization Of Polymethylhydrosiloxane-Based Materials: Environmental Remediation, Unusual Oxidative Behavior, And Kinetic Analysis, Hannah M. Hayes

Chemistry & Biochemistry Dissertations

Porous materials have a wide range of applications. One of which is environmental remediation as a sorbent. Synthetic materials are beneficial as they have more selectivity compared to natural sorbents however, they are more costly. Recently, a publication produced an ambiently dried gel using a copolymer of polymethylhydrosiloxane (PMHS) and polydimethylsiloxane (PDMS) after modification with vinylmethyldimethoxysilane (VMDMS). PMHS is a byproduct of the silicone industry which makes the synthesis cheaper and more environmentally friendly. The precursor ratio must be tailored to account for the change in polymer used. In this study, various ratios of PMHS and VMDMS as well as …

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Connections Between Mathematics And Chemistry: An Interdisciplinary Undergraduate Curricular Initiative, George Ashline, Bret Findley Jan 2026

Connections Between Mathematics And Chemistry: An Interdisciplinary Undergraduate Curricular Initiative, George Ashline, Bret Findley

Journal of Mathematics and Science: Collaborative Explorations

In this article, we describe an undergraduate curricular initiative involving mathematics and chemistry faculty and students. Supported by a grant from the National Science Foundation Scholarships in Science, Technology, Engineering, and Mathematics Program, a program designed to encourage the study of and connections between quantitative fields and life sciences, this interdisciplinary collaboration features undergraduate student research and involves the development of curricular connections between mathematics and chemistry. Through this initiative, we have created activities for calculus courses featuring chemistry applications as well as activities for chemistry courses showcasing mathematical concepts. After the implementation of these curricular enhancements, we gathered student …

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Elucidating The Impacts Of Non-Covalent Interactions In Organic Materials Through A Multiscale Computational Approach, Sashen A. Ruhunage Jan 2026

Elucidating The Impacts Of Non-Covalent Interactions In Organic Materials Through A Multiscale Computational Approach, Sashen A. Ruhunage

Theses and Dissertations--Chemistry

Noncovalent interactions (NCIs) in π-conjugated organic materials serve as tunable levers that influence molecular structure and intermolecular interactions in the condensed phase and, in turn, impact the electronic, optical, and mechanical properties of these materials. NCIs include attractive dispersion, electrostatic, and induction interactions, as well as repulsive exchange interactions. However, how to design materials with NCI considerations remains an open question across many fields. Here, we seek to provide an electronic and atomistic perspective on these interactions through multiscale simulations to aid materials design, processing, and performance optimization. In this study, we investigate NCIs and their effects across various systems …

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Real-Space Imaging Of The Electron-Pair Density Hole In Molecular Auger-Meitner Decay, Mats Simmermacher, Nathan Goff, Andres Moreno Carrascosa, Elke Fasshauer, Thomas Northey, Lingyu Ma, Haiwang Yong, Brian Stankus, Asami Odate, Xuan Xu, Wenpeng Du, Kyle Acheson, Joseph C. Cooper, Daniel Ratner, Mengning Liang, Ruaridh Forbes, Michael P. Minitti, Adam Kirrander, Peter M. Weber Jan 2026

Real-Space Imaging Of The Electron-Pair Density Hole In Molecular Auger-Meitner Decay, Mats Simmermacher, Nathan Goff, Andres Moreno Carrascosa, Elke Fasshauer, Thomas Northey, Lingyu Ma, Haiwang Yong, Brian Stankus, Asami Odate, Xuan Xu, Wenpeng Du, Kyle Acheson, Joseph C. Cooper, Daniel Ratner, Mengning Liang, Ruaridh Forbes, Michael P. Minitti, Adam Kirrander, Peter M. Weber

Physics Faculty Publications

Electrons in matter can rearrange extremely quickly under external perturbations, underpinning subsequent structural and chemical transformations. Coulomb interactions between neighbouring electrons often shape this response, giving rise to correlated motion and strongly affecting the distribution of electrons in the system. Here we show that non-resonant hard X-ray scattering can directly access changes in the radial electron-pair density during the rapid rearrangement of core and valence electrons. We do this by studying sulfur hexafluoride molecules undergoing Auger–Meitner decay. We exploit a second-order interaction between the X-ray photons and the molecules to trigger and probe the decay dynamics with a single pulse, …

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Deciphering Ultrafast Photoinduced And Photocatalytic Reaction Dynamics On Oxide Surfaces: Direct Detection Of Radical Intermediates, Fragment Trapping, And Carbon–Carbon, Carbon–Oxygen, And Carbon–Hydrogen Bond Formation Pathways, Aakash Gupta Jan 2026

Deciphering Ultrafast Photoinduced And Photocatalytic Reaction Dynamics On Oxide Surfaces: Direct Detection Of Radical Intermediates, Fragment Trapping, And Carbon–Carbon, Carbon–Oxygen, And Carbon–Hydrogen Bond Formation Pathways, Aakash Gupta

Graduate Studies Theses and Dissertations 2026

Understanding photoinduced reactions at solid interfaces is essential for advancing heterogeneous photocatalysis, surface photochemistry, and energy conversion technologies. This dissertation investigates the ultrafast dynamics of reactive intermediates, fragment trapping, and radical-mediated bond formation on oxide surfaces using time-of-flight mass spectrometry in conjunction with femtosecond pump-probe spectroscopy. Various experimental findings are validated through collaborations via density functional theory (DFT). By combining temporal, mass, and energy-resolved measurements, this work provides molecular-level insight into the elementary processes governing light-driven surface reactions. The photodissociation dynamics of CH3I adsorbed on TiO2(110), TiO2(100), and amorphous silicon oxide surfaces are examined …

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A Theoretical Study Of Molecular Photoionization: Applications To Molecules Of Astrophysical And Atmospheric Interest, Conner Penson Jan 2026

A Theoretical Study Of Molecular Photoionization: Applications To Molecules Of Astrophysical And Atmospheric Interest, Conner Penson

Graduate Studies Theses and Dissertations 2026

This thesis is devoted to the development of the model for total molecular photoionization spectra which is general to diatomic molecules and the application of this model to two benchmark systems, CH and N2, for verification. This model combines multi-channel quantum defect theory, first-principles ab initio molecular calculations, and vibrational frame transformation to accurately model molecular photoionization and electron impact including vibrational dynamics. The scattering data and transition dipole moments for the molecular systems were calculated using R-matrix method through the UKRMol+ codes. A vibrational frame transformation is then performed and multi-channel quantum defect theory is used to calculate closed …

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Novel Chiral Interstellar Molecules: Quantum Anharmonic Ir And Vcd Predictions, Meredith Paik Jan 2026

Novel Chiral Interstellar Molecules: Quantum Anharmonic Ir And Vcd Predictions, Meredith Paik

Dissertations, Master's Theses and Master's Reports

The 2016 discovery of the chiral molecule propylene oxide (C3H6O) in the interstellar medium (ISM) has opened new avenues into explaining the origin of biomolecular homochirality on Earth. Thus, studies of chiral molecules in the ISM may be able to reveal more about the mechanism behind homochirality. However, while the search for chiral molecules in space has become an active field of study, astrochemical researchers have yet to detect other chiral molecules in the ISM. For this purpose, numerous characteristics for detectability have been outlined that may facilitate the discovery of other interstellar chiral molecules. With …

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31p Solution Nmr Investigation Of Abasic Dna, Clarissa R. Krimmel Jan 2026

31p Solution Nmr Investigation Of Abasic Dna, Clarissa R. Krimmel

Graduate Theses/Dissertations

Base excision repair (BER) mechanisms fix single base lesions in DNA, such as T:G mismatches. During the base excision repair mechanism, an abasic site (AP site) is formed as an intermediate. AP sites are unstable and highly mutagenic; they can stop DNA replication. This research investigates how the conformational properties of abasic sites in DNA affect the binding recognition of enzymes involved in DNA repair mechanisms, including BER. Three different abasic sequences are being analyzed for this research project. A second project looks at the effects of a naturally occurring purine derivative, hypoxanthine, on the DNA backbone. These hypoxanthine lesions …

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Data-Driven Analysis And Atomistic Simulations Of Next-Generation Materials For Energy Conversion And Storage, Yuliang Shi Dec 2025

Data-Driven Analysis And Atomistic Simulations Of Next-Generation Materials For Energy Conversion And Storage, Yuliang Shi

Dissertations

Metal-organic frameworks (MOFs), with their modular architectures and tunable properties, represent an especially rich domain for accelerated material design and discovery for a range of diverse applications. Within this class of multifunctional materials, two-dimensional (2D) electrically conductive MOFs (EC MOFs) are of particular interest, as their 7r-stacked layered structures combine permanent porosity with electronic conductivity, enabling potential breakthroughs in energy storage, energy conversion, and quantum sensing. But the discovery and design of new EC MOFs based on expensive experimental screening is increasingly impractical due to the infinite chemical space. Furthermore, the practical implementation of EC MOFs for specific tasks depends …

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Two Members Of The Editorial Board Of Journal Electrochemistry, Kai Wu Elected As An Academician Of The Chinese Academy Of Engineering And Yi Cui A Foreign Academician Of The Chinese Academy Of Sciences, Editorial Office Of J.Electrochem. Dec 2025

Two Members Of The Editorial Board Of Journal Electrochemistry, Kai Wu Elected As An Academician Of The Chinese Academy Of Engineering And Yi Cui A Foreign Academician Of The Chinese Academy Of Sciences, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

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Electrochemical Characterization And Modulation Of Biological Processes, Yue-Qi Li, Wei-Hua Huang, De-Chen Jiang, Bao-Hong Liu, Bin Su, Yang Tian, Jing-Juan Xu, Ping Yu, Feng Zhao, Huang-Xian Ju, Jing-Hong Li Dec 2025

Electrochemical Characterization And Modulation Of Biological Processes, Yue-Qi Li, Wei-Hua Huang, De-Chen Jiang, Bao-Hong Liu, Bin Su, Yang Tian, Jing-Juan Xu, Ping Yu, Feng Zhao, Huang-Xian Ju, Jing-Hong Li

Journal of Electrochemistry

Electrochemical processes lie at the core of biological function, governing energy transduction, metabolic flux, and molecular signaling. Recent advances in electrochemical science now allow these processes to be probed and controlled with unprecedented spatial, temporal, and chemical resolution. In this review, we present an integrated framework that progresses from fundamental mechanisms to analytical technologies and functional modulation. We begin by outlining electron transfer pathways in mitochondrial respiration, microbial extracellular electron transfer, and DNA- and protein-based charge conduction, followed by the principles of photon-electron conversion in photosynthesis and the central role of redox equilibrium in coordinating cellular responses. We then highlight …

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A Novel Electrolyte Pyridine Additive For Enhancing Cycle Life Of Lithium-Ion Batteries, Peng-Cheng Wang, Ding-Chang Li, Jun-Tao Li, Guang-Bo Lu, Shi-Wen Wang Dec 2025

A Novel Electrolyte Pyridine Additive For Enhancing Cycle Life Of Lithium-Ion Batteries, Peng-Cheng Wang, Ding-Chang Li, Jun-Tao Li, Guang-Bo Lu, Shi-Wen Wang

Journal of Electrochemistry

Lithium-ion (Li-ion) battery using a graphite (Gr.) anode and a lithium iron phosphate (LiFePO4, LFP) cathode (Gr.||LFP) has been widespread in energy storage. To match the warranty period of energy storage systems, the lifespan of this kind of Li-ion battery, not only under room temperature but also under relatively high temperature, is critical. Exploration of functional electrolyte additive provides an efficient approach to address this issue. This study reports the usage of pyridine (Py) as a new electrolyte functional additive for Gr.||LFP. In the first cycle, it was found that Py can be reduced before ethylene carbonate and …

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Journal Of Electrochemistry Officially Indexed By Leading Oa Databases Oarl And Coaj, Editorial Office Of J.Electrochem. Dec 2025

Journal Of Electrochemistry Officially Indexed By Leading Oa Databases Oarl And Coaj, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

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Feature Column Of Journal Of Electrochemistry Nominated For 2025 Top 10 Famous Columns Of Fujian Provincial Newspapers And Periodicals, Editorial Office Of J.Electrochem. Dec 2025

Feature Column Of Journal Of Electrochemistry Nominated For 2025 Top 10 Famous Columns Of Fujian Provincial Newspapers And Periodicals, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

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Microplastic Degradation Using Laccase Enzyme From Trametes Hirsuta: In The Silico Study, Hanzhola Gusman Riyanto, Diana Sylvia Dec 2025

Microplastic Degradation Using Laccase Enzyme From Trametes Hirsuta: In The Silico Study, Hanzhola Gusman Riyanto, Diana Sylvia

Makara Journal of Science

Microplastics are a serious global problem that arises worldwide because of their widespread use. Exposure to microplastics can negatively affect human and environmental health. In this study, we used molecular docking methods with MOE software (version 2014.0901) to investigate the interaction between the laccase enzyme and several microplastic compounds as a preliminary study of microplastic degradation using enzymes. The Quantitative Structure Analysis Relationship (QSAR) analysis revealed that all microplastic ligands had higher Pa values than Pi, indicating that the laccase enzyme may be biologically active. The findings of the present study show that polyamide (PA) has the lowest binding energy …

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Characterization Of The Electronic Structure Of Metal–Organic Framework Mil-125 And Its Derivatives Using Soft X-Ray Spectroscopies, Jennifer Alexia Napoles Dec 2025

Characterization Of The Electronic Structure Of Metal–Organic Framework Mil-125 And Its Derivatives Using Soft X-Ray Spectroscopies, Jennifer Alexia Napoles

UNLV Theses, Dissertations, Professional Papers, and Capstones

Metal–organic frameworks (MOFs) are highly porous, three-dimensional networks composed of coordinated metal clusters and organic ligand subunits. While tens of thousands of MOFs have been synthesized, the Ti(IV)-based MOF MIL-125 has garnered scientific interest due to the observed changes to its optical and photocatalytic properties upon chemical modification. For example, upon UV irradiation in the presence of an alcohol, MIL-125 undergoes a photochromic color change to a photodoped state that has been associated with the storage of charge in the form of Ti(III) sites. Another example is exemplified by the amine group functionalization of the 1,4-benzenedicarboxylate (BDC) linker of MIL-125 …

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Hot Ground State Cooling Following Ultrafast Photoisomerization: Time-Resolved Infrared Spectroscopy, James N. Bull, Mark H. Stockett, Pratip Chakraborty, Eleanor K. Ashworth, Anam Fatima, Vincent J. Esposito, Gregory M. Greetham, Partha Malakar, Stephen R. Meech Dec 2025

Hot Ground State Cooling Following Ultrafast Photoisomerization: Time-Resolved Infrared Spectroscopy, James N. Bull, Mark H. Stockett, Pratip Chakraborty, Eleanor K. Ashworth, Anam Fatima, Vincent J. Esposito, Gregory M. Greetham, Partha Malakar, Stephen R. Meech

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The ultrafast photophysics of many isomerizing molecules involves subpicosecond formation of a twisted hot ground state, which transfers energy to the environment through vibrational relaxation (cooling) over several picoseconds. In time-resolved infrared (TR-IR) spectroscopy, hot ground state transients show frequency shifts and band reshapings, which cannot be described through kinetic models that assume static spectral functions. We report a simple anharmonic cascade framework, which uses a single adjustable parameter associated with scaling the probability of vibrational energy transfer to the environment, for describing hot ground state cooling (HGSC) in TR-IR spectroscopy. The model is demonstrated against measurements on the cyan …

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Catalytic Synthesis Of Iron-Doped Graphitic Aerogels From Poly(Phloroglucinol-Terephthalaldehyde – Urethane) Precursors, Stephen Yaw Owusu, Rushi U. Soni, Chariklia Sotiriou-Leventis Dec 2025

Catalytic Synthesis Of Iron-Doped Graphitic Aerogels From Poly(Phloroglucinol-Terephthalaldehyde – Urethane) Precursors, Stephen Yaw Owusu, Rushi U. Soni, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

We report a new class of graphitic carbon aerogel precursors based on iron oxide-doped poly(phloroglucinol-terephthalaldehyde–urethane) (T-POL/PU-FeOx) networks. The hybrid polymeric network incorporates a rigid aromatic triisocyanate, tris(4-isocyanatophenyl)methane, which reacts in situ with the hydroxyl groups of phloroglucinol to form a polyurethane-containing framework. Monolithic aerogels derived from this system undergo catalytic graphitization at significantly reduced temperatures (800–1500 °C) compared to conventional graphitization (2500–3300 °C). An oxidative ring fusion aromatization step (240 °C, air) prior to pyrolysis enhanced the degree of graphitization. The resulting graphitic aerogels were characterized by XRD, Raman spectroscopy, TGA, TEM, SEM, XPS, and N₂ sorption porosimetry. Compared to …

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Spectroscopic Studies Of Metal Containing Molecules Under Jet-Cooled Conditions Using Laster-Induced Fluoresence (Lif) And Dispersed Fluorescence (Df) Techniques., Md Touhidul Islam Dec 2025

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 …

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Molecular Design And Engineering Of Luminophores For Aggregation Induced Electrogenerated Chemiluminescence, Jesy Alka Motchaalangaram Dec 2025

Molecular Design And Engineering Of Luminophores For Aggregation Induced Electrogenerated Chemiluminescence, Jesy Alka Motchaalangaram

Dissertations

Most conventional luminophores produce intense emissions in solutions but suffer from weak emissions or quenching when aggregated in poor solvents due to intermolecular interactions, such as π-π stacking. This phenomenon is known as aggregation caused by quenching (ACQ), limits their applications in their solid state. In contrast, aggregation induced emission (AIE) is a phenomenon in which luminophores are weak- or non-emissive in solution but emit intensively in their aggregated or solid states. AIE has enabled significant advancements in various real-world applications and has inspired new areas of research. The combination of AIE with electrogenerated chemiluminescence (ECL) has resulted in a …

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Development Of A Digestion Procedure Using Fe2+ Ions For Electrochemical Detection Of Mno2 Particles In Drinking Water, Kayla Elliott, Sarah Jane Payne, Zhe She Nov 2025

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 …

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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 Nov 2025

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 …

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