Materials Chemistry Commons^™

N–((2–Acetylphenyl)Carbamothioyl)Benzamide: Synthesis, Crystal Structure Analysis, And Theoretical Studies, Akin Oztaslar, Hakan Arslan

Karbala International Journal of Modern Science

N–((2–Acetylphenyl)carbamothioyl)benzamide has been synthesized and characterized. The molecular conformation of the investigated compound is stabilized by C16–H16B⋅⋅⋅O2ⁱ (i: 1+x, y, z) intermolecular and C14–H14⋅⋅⋅S1, N2–H2⋅⋅⋅O2, and N2–H2⋅⋅⋅O1 intramolecular H–bonds. All DFT calculations have been implemented at the B3LYP level with the 6–311G(d,p) basis set. The optimized molecular structure parameters have been compared with the experimental one in the solid phase. The energy gap, global chemical reactivity descriptor parameters, MEP, Fukui functions, DoS, NLO, and NBO analysis were also computed and investigated. The intermolecular interactions and their energies are evaluated using Hirshfeld surface and energy framework analyses. To determine …

Tio2 Crystallization At Room Temperature And Preparation Of Transparent Carbon Counter Electrode For Low-Cost Dye-Sensitized Solar Cells, Muhammad Iqbal Syauqi, Afiten Rahmin Sanjaya, Mohammad Jihad Madiabu, Munawar Khalil, Jarnuzi Gunlazuardi

Makara Journal of Science

We developed a low-cost dye-sensitized solar cell (DSSC) using TiO₂ fabricated via rapid breakdown anodization (RBA) and ultrafast room-temperature crystallization (URTC). The prepared TiO₂ was deposited on a self-made fluorine-doped tin oxide (FTO) conductive glass, and the FTO/TiO₂ system was sensitized using curcumin dye. The DSSC was constructed by sandwiching the FTO/TiO₂/curcumin electrode with an I⁻/I₂ electrolyte and a transparent carbon counter electrode prepared using a liquid–liquid interface system. The characterization results showed that the TiO₂ freshly prepared via URTC was transformed into an anatase crystalline phase, which exhibited a 3.10 …

Sers For The Detection Of Trace Materials, Omari Kirkland

Dissertations, Theses, and Capstone Projects

In this dissertation are presented three projects that contribute to the body of research on SERS in the forensic, heritage, and semiconductor fields. The first project, Charge-Transfer mapping on GaN/Ag, a silver-decorated nanopillar semiconductor substrate fabricated from the GaN is used with the Raman probe Rhodamine 6 G (R6G) to map the effect of the nanofeatures on the CT resonance. The second project, in collaboration with Marco Leona from the Metropolitan Museum of Art, explores the use of AgNIFs to identify colorants used on textile fiber samples from four 19th century works of Japanese art. The final project analyzes the …

The Effect Of The Carbon Nanotubes’ Surface Area On The Morphology And Performance Of Cellulose Acetate Nanocomposite Membranes In Nanofiltration Applications, Nouran Elbadawi

Theses and Dissertations

Population increase and climate change have significantly affected the availability of fresh water for consumption. Studies by UNESCO showed that more than 28% of the world population didn’t have access to clean safe drinking water in 2020. This situation is expected to get more serious over the coming 30 years with the limited availability of natural fresh water sources. The need to find solutions from alternative non-freshwater resources for drinking or irrigation is becoming a necessity. Within the context of desalination technologies, thousands of investigations are conducted to find the cheapest most efficient way of water treatment aiming at expanding …

Development Of Novel Hybrid Structures For Fast Dissolution Of Hydrophobic Drugs, Mohammad Saiful Islam

Dissertations

Nanomaterials have proven to be highly effective in the design and development of biomedicine. Complementary nanostructured hybrid particles show great promise in drug delivery applications. By improving functionalization, the physicochemical properties of the particles can be enhanced resulting in a high surface area, tunable hydrophilicity and porosity. These characteristics can provide a suitable environment for drug encapsulation, biocompatibility, high drug loading, and customizable release capabilities.

The formulation of drugs with poor water solubility faces multiple challenges, such as insufficient dissolution and inconsistent therapeutic efficacy, particularly when administered orally over an extended period. To overcome these challenges, some of the beneficial …

Detection Of Nitrogen Dioxide Via Graphene-Enhanced Raman Scattering, Spencer Hazeslip

Chemistry & Biochemistry Undergraduate Honors Theses

This paper presents the development of a nitrogen dioxide (NO₂) sensor that utilizes the phenomenon of graphene-enhanced Raman scattering (GERS). The sensor consists of monolayer graphene on a silicon wafer, functionalized noncovalently with Copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (CuTTPc) via the solution soaking method. A custom sensing chamber was constructed to enable Raman spectra to be collected during NO₂ exposure. The response of the sensor was found to be linear between 10 and 100 ppm NO₂, indicating that it could be used for both detection and quantification. Furthermore, the sensor was shown to be reusable after …

Structural, Magnetic, Electrical, Pseudocapacitive, And Electrocatalytic Properties Of Bilayered Ruddlesden-Popper Oxides., Chandana Kananke-Gamage

Electronic Theses and Dissertations

Ruddlesden Popper (RP) oxides are perovskite-derived functional materials with the general formula An-1Aʹ2BnO3n+1, where A/Aʹ is often a lanthanide or alkaline earth metal, and B is usually a transition metal. These materials contain perovskite-like connectivity, where BO6 units share apexes to form layers that are stacked above each other. The number of layers in each stack is represented by n in the above formula. The spaces between stacks are often occupied by lanthanide or alkaline-earth metals (Aʹ-site metals), which also reside in intra-stack spaces (A-site) between the octahedra. Oxide materials derived from perovskites have been studied for a wide range …

Nanoscale Imaging Of Electrocatalytic Nanomaterials By High-Resolution Scanning Electrochemical Microscopy, Xiang Wang

Dissertations, Theses, and Capstone Projects

Numerous insights of the structure–electrochemical activity relationship of nanocatalysts have been obtained by using macroscopic electrochemical measurements over the last several decades. However, signals measured by large electrodes are inevitably averaged out of many nanocatalysts, non-uniformed sizes, uneven morphologies, and multiple crystallographic facets. Over the last ten years, Scanning Electrochemical Microscopy (SECM) has advanced electrochemical measurements toward micro- to nanoscale level at a high spatial resolution. The advantages of using nanoelectrode in SECM include fast mass transfer of reactive species, dominated radial diffusion pattern, small double layer capacitance and small RC constant. In this thesis, high-resolution SECM is applied to …

Structural And Functional Modulation Of Metal-Organic Supercontainers (Moscs) And Their Applications In Supramolecular Catalysis, Shrijana Dc

Dissertations and Theses

Metal-organic supercontainers (MOSCs), a breakthrough development in our laboratory since 2012, have emerged as promising enzyme mimics, showcasing their prowess in encapsulating guest molecules and catalyzing confined chemical reactions. The intrigue surrounding MOSCs stems from their extraordinary traits, encompassing multiple binding domains, high stability, large surface area, tunable pore size, and structural modularity. Primarily comprising sulfonylcalix[4]arenes, divalent metal ions, and carboxylate linkers, MOSCs' quintessential architecture comprises both endo- and exo- nano-cavities, amenable to guest interaction, with geometry and functionality manipulation achievable through precise precursor selection. Nonetheless, early MOSC models exhibit limited reactivity, often necessitating more potent nucleophiles or electrophiles. This …

Synthesis And Application Of Redox-Active Covalent Organic Frameworks In Rechargeable Batteries, Mohammad K. Shehab

Theses and Dissertations

Synthesis and Application of Redox-Active Covalent Organic Frameworks in Rechargeable Batteries

Mohammad K. Shehab

Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284, United States

Abstract

In recent years, lithium-ion batteries (LIBs) have been considered the dominant energy storage devices for portable electronics and electric vehicles due to their high energy density, low self-discharge rate, and long cycle life. In LIBs, the traditional positive electrodes employed are mainly derived from metal-containing inorganic compounds composed of cobalt, iron, nickel, or manganese (LiCoO₂, LiMn₂O₄, and LiFePO₄) coupled with graphite as the negative electrode. Despite …

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

Theses and Dissertations--Chemistry

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

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

Theses and Dissertations--Chemistry

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

Material Analysis And Conservation Treatment Of Louise Nevelson’S Sculpture Dawn’S Image, Night, Kaela Nurmi

Art Conservation Master's Projects

Louise Nevelson’s large-scale, matte black assemblage sculpture Dawn’s Image, Night, 1969, is owned by and currently on display at SUNY Buffalo State College. The paint layers exhibited significant amounts of dust, some damages, vandalism, and unsightly fingerprints. Extensive scientific analysis and archival research were utilized to design an appropriate treatment and long-term preservation plan. Methods of analysis include: Fourier transform infrared spectroscopy, pyrolysis-gas chromatography-mass spectrometry, microchemical testing, and xray fluorescence spectroscopy. The project also addresses the ethical considerations surrounding the prior removal of original components for safety considerations, repainting as a possible treatment, and the overall obstacles of treating a …

Sensitized Photooxidation Of Prenylated Compounds: Mechanisms Of Downstream Dark Effects And Phototoxicity Priming, Shakeela Jabeen

Dissertations, Theses, and Capstone Projects

This thesis consists of four chapters as detailed below.

Chapter 1 discusses a singlet oxygen priming mechanism. Airborne singlet oxygen derived from photosensitization of triplet dioxygen is shown to react with an alkene surfactant (8-methylnon-7-ene-1 sulfonate) leading to ‘ene’ hydroperoxides that in the dark inactivate planktonic E. coli. The ‘ene’ hydroperoxide photoproducts are not toxic on their own, but they become toxic after the bacteria are pretreated with singlet oxygen. The total quenching rate constant (k_T) of singlet oxygen of the alkene surfactant was measured to be 1.1 × 10⁶ M⁻¹ s^{− …}

A Novel Electrochemical Sensor Based On Au/Rgo/Feooh For One-Step Detection Of Nitrite, Da-Juan Luo, Bing-Qian Liu, Meng-Yan Qin, Rong Gao, Li-Xia Su, Yong-Huan Su

Journal of Electrochemistry

Nitrite, a widespread raw material, is harmful to human health for long-term consumption. At present, the detection methods of nitrite mainly include chemical analysis, fluorescence, ultraviolet spectrophotometry and chromatography. These methods have ideal sensitivity and selectivity, but also have some characteristics: cumbersome operation, expensive equipment and professional personnel. Therefore, the development of a simple and sensitive nitrite assay is of great significance. In this paper, the Au/rGO/FeOOH composite materials, which revealed good synergistic catalytic performance among the three elements in the composite, were prepared by simple hydrothermal method and reduction method for the first time with large specific surface area …

Biomaterials: From Scaffold Design To Implant Optimization, Jennifer Marie Armen

Electronic Theses and Dissertations

This work encompasses three individual projects concerning biomaterials and their modifications. Chemically-Induced Cross-Linking of Peptidic Fibrils for Scaffolding Polymeric Particles and Macrophages EAK16-II (EAK) is a self-assembling peptide (SAP) that forms β-sheets and βfibrils through ionic-complementary interactions at physiological ionic strengths. The soft materials can be injected in vivo, creating depots of drugs and cells for rendering pharmacological and biological actions. The scope of the applications of EAK is sought to extend to tissues through which the flow of extracellular fluid tends to be limited. In such anatomical locales the rate and extent of the fibrilization are limited insofar as …

Functionalized Biochar Electrodes For Asymmetric Capacitive Deionization, Hellen Stephanie

Theses and Dissertations

Electrosorption-based capacitive deionization (CDI) has become a viable process for brackish water desalination and defluoridation. In this study, activated Douglas fir biochar is used as a low-cost electrode material with adsorption capacity comparable to activated carbon obtained from biomass precursors. Adding functional groups to the activated biochar enhanced salt removal capacity, providing cation and anion selectivity. The functionalized electrodes were prepared by Nafion, titanium isopropoxide, and p-phenylenediamine treatment, respectively, which introduced sulfonate, titanium dioxide and amine functional groups to the electrode surface. These modification methods are versatile and can be easily performed without sophisticated laboratory environment. Modified biochar electrodes …

Analysis Of The Light Responsive Azobenzene Peptide Nucleic Acid Duplexes, Kat Nguyen

Honors College Theses

Peptide nucleic acids (PNAs) are oligonucleotide analogues in which the sugar-phosphate backbone has been replaced by a pseudopeptide skeleton. Since PNAs use the natural nucleobases (Adenine, Thymine, Cytosine, Uracil, and Guanine) found in either DNA and/or RNA, they are able to hybridize according to Watson-Crick base-pairing to form duplexes. PNA is a promising therapeutic agent because they can function as antigene or antisense chemical agents. To further enhance their utility, we aim to incorporate a photoswitchable moiety using azobenzene. Here, we report the results of the synthesis and purification of a photoswitchable 11 mer PNA along with initial characterization efforts.

Real-Time Monitoring Of Paraquat Photodegradation Using Colloidal Gold Surface Enhanced Raman Spectroscopy, Nathan Wilson

Masters Theses & Specialist Projects

Monitoring chemical reactions in aqueous solution is a challenge because most instrumental techniques either are not suited for the rapid timescales, are not sensitive enough to detect products at low concentrations, or do not have sufficient structure-to-spectrum relationships. Raman spectroscopy is a promising method to monitor reactions, as it is fast, dependent on chemical structure, and has little interference from water. However, Raman scattering is generally very weak. Surface-enhanced Raman spectroscopy (SERS) improves the signal strength of Raman spectroscopy by using a metal surface plasmon, or oscillation of the surface’s electrons, to allow for highly selective and sensitive detection and …

In-Situ/Operando57Fe Mössbauer Spectroscopic Technique And Its Applications In Nife-Based Electrocatalysts For Oxygen Evolution Reaction, Jafar Hussain Shah, Qi-Xian Xie, Zhi-Chong Kuang, Ri-Le Ge, Wen-Hui Zhou, Duo-Rong Liu, Alexandre I. Rykov, Xu-Ning Li, Jing-Shan Luo, Jun-Hu Wang

Journal of Electrochemistry

The development of highly efficient and cost-effective electrocatalysts for the sluggish oxygen evolution reaction (OER) remains a significant barrier to establish effective utilization of renewable energy storage systems and water splitting to produce clean fuel. The current status of the research in developing OER catalysts shows that NiFe-based oxygen evolution catalysts (OECs) have been proven as excellent and remarkable candidates for this purpose. But it is critically important to understand the factors that influence their activity and underlying mechanism for the development of state-of-the-art OER catalysts. Therefore, the development of in-situ/operando characterizations is urgently required to detect key intermediates along …

Recent Advances In Electrical Transport Spectroscopy For The In Situ Measurement Of Electrochemical Interfaces, Zhang-Yan Mu, Meng-Ning Ding

Journal of Electrochemistry

Electrochemical/electrocatalytic technology has played a central role in achieving highly efficient energy conversion and storage. To date, the in-depth electrochemical research begins to require accurate and multi-dimensional information of electrochemical interfaces, which usually relies on the application of in situ characterizations. Electrical transport spectroscopy (ETS) is a newly developed measurement strategy based on chip-platform, and provides in situ information of electrochemical interfaces from a novel perspective due to a signal origin that is fundamentally different from typical spectroscopic and electrochemical techniques. In this tutorial review, the working principle and experimental setup of ETS are described in detail with the demonstration …

Rational Design Of Electrochemical Molecular Probes For Highly Selective And Long-Term Measurement In Vivo, Yue Wang, Li-Min Zhang, Yang Tian

Journal of Electrochemistry

Designing electrochemical interfaces for in vivo analysis of neurochemicals with high selectivity and long-term stability is vital for monitoring dynamic variation and dissecting the complex mechanisms of pathogenesis in living animals. This review focuses on the development of electrochemical interfaces based on rational design of molecular probes for in vivo measurement with high selectivity and high stability from three aspects: (1) Specific recognition probes were rationally designed and created to remarkably improve the selectivity of in vivo analysis in a complicated brain environment. (2) The Au-C≡C functionalized surface was developed to remarkably enhance the stability of molecular assembly, and employed …

In Situ Characterization Of Electrode Structure And Catalytic Processes In The Electrocatalytic Oxygen Reduction Reaction, Ya-Chen Feng, Xiang Wang, Yu-Qi Wang, Hui-Juan Yan, Dong Wang

Journal of Electrochemistry

As an electrochemical energy conversion system, fuel cell has the advantages of high energy conversion efficiency and high cleanliness. Oxygen reduction reaction (ORR), as an important cathode reaction in fuel cells, has received extensive attention. At present, the electrocatalysts are still one of the key materials restricting the further commercialization of fuel cells. The fundamental understanding on the catalytic mechanism of ORR is conducive to the development of electrocatalysts with the enhanced activity and high selectivity. This review aims to summarize the in situ characterization techniques used to study ORR. From this perspective, we first briefly introduce the advantages of …

A Flexible Enzymeless Glucose Sensor Via Electrodepositing 3d Flower-Like Cos Onto Self-Supporting Graphene Tape Electrode, Jiang Li, Zuo-Peng Li, Yun-Feng Bai, Su-Xing Luo, Yong Guo, Ya-Yan Bao, Rong Li, Hai-Yan Liu, Feng Feng

Journal of Electrochemistry

Three-dimensional (3D) nanostructural Flower-like cobalt sulfide (CoS) on flexible self-supporting graphene tape electrode (GTE) with remarkably electrocatalytic activity toward glucose was successfully prepared by electrodeposition. Structural characterizations revealed that the electrodeposited CoS was highly dispersed on GTE as an active material. The fabricated binder-free and self-standing CoS/GTE shows a good linear response in the range of 0.025 ~ 1.0 mmol·L^-1, reaching a high glucose sensitivity value of 323.3 μA·(mmol·L ^-1)^-1·cm^-2 and a low detection limit of 8.5 μmol·L ^-1 (S/N = 3). Moreover, the as-prepared sensor was well applied for glucose …

Establishing The Relative Composition Of Functionalized Thiols In Mixed Ligand Gold Nanoparticles By 1h-Nmr Spectroscopy, Matthias Carroll

All Master's Theses

Functionalized gold nanoparticles (AuNPs) are of interest for their optical and electrical properties, specifically the surface plasmon resonance phenomenon and potential applications for medicine and nano-circuitry. In this study, the ligand composition of small (~5 nm diameter) thiol functionalized AuNPs with mixed ligand monolayers was investigated to better understand how the molar feed ratio of ligands used during their synthesis influences the composition of ligands on the particle’s surface. The system under study was a combination of two ω-functionalized thiols, mercapto ethoxy ethoxy ethanol (MEEE) and mercapto pentyl trimethyl ammonium chloride (MPTMA). UV/Visible spectrophotometry, dynamic light scattering, and electron …

Analysis Of Forensically Relevant Evidence Using Electrochemistry, Spectroscopy, And Mass Spectrometry Tools, Colby Edward Ott

Graduate Theses, Dissertations, and Problem Reports (ETD)

Forensic science relies on the use of multiple techniques in the assessment of evidence to increase the accuracy and reliability of the results. However, with the rapidly changing drug landscape due to the introduction of novel psychoactive substances, many traditional screening methods are no longer sensitive or selective enough for use. Additionally, many screening methods such as chemical color tests are prone to false positive and negative results and are subjective. Therefore, the goal of this dissertation was to develop a novel analytical scheme that can provide a more efficient, rapid, and sensitive method that will facilitate adoption in the …

Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell

Graduate Theses/Dissertations

Nanomaterials are a relatively new class of materials that have many applications which span a wide host of fields from medical products to consumer products. The possible compositions and forms of nanomaterials are just as varied as the applications. Therefore, a versatile characterization method is needed for researchers and regulators alike to ensure nanomaterials are properly used. Single Particle Inductively Coupled Plasma Mass Spectrometry (SP-ICP-MS) is a functional method that could fill the characterization need in the nanomaterial research field. Using data from both SP-ICP-MS tests and data from literature established characterization methods, the viability of making SP-ICP-MS the standard …

Photoelectrochemical Sensing Based On Zr-Mofs For Homocysteine Detection, Wen-Xia Dong, Guang-Ming Wen, Bin Liu, Zhong-Ping Li

Journal of Electrochemistry

Due to the independent form of the light source and detection system, photoelectrochemical (PEC) sensor has the advantages of low background, high sensitivity and simple operation. So far, PEC systems have been widely used in the fields including the actual detection of metal ions, biological antibodies or antigens in environmental pollutants. When the photosensitive material is irradiated by a light source with an energy being equal to or greater than its band gap, electrons (e^-) transition occurs from the valence band to the conduction band, leaving a hole (h⁺), at the same time, the generated electron-hole …

Structure Analysis Of Pemfc Cathode Catalyst Layer, Rui-Qing Wang, Sheng Sui

Journal of Electrochemistry

The sluggish oxygen reduction reaction (ORR) on the cathode of the proton exchange membrane fuel cell (PEMFC) has always been one of the key factors limiting its commercialization. The optimization of the cathode catalytic layer structure plays an important role in improving fuel cell performance and reducing production costs. In this paper, two different catalysts (platinum nanoparticles (Pt-NPs) and platinum nanowires (Pt-NWs)) were prepared by using catalyst coated substrate (CCS) method. By constructing a double-layer catalytic layer structure, we analyzed the effect of different catalytic layer structures by performing a single cell test. The results showed that the dense platinum …

Investigating Thermodynamics And Kinetics Of Methylene Blue And Eriochrome Black-T Adsorption On Activated Carbon Prepared From Coconut Husk, Abdul Rahman Wahoud, Lotfi Abdul Samed Bawazer

Hadhramout University Journal of Natural & Applied Sciences

In this research, the adsorption process was studied for methylene blue eriochrome black-T from aqueous solutions on the surface of activated carbon prepared from coconut husk by chemical activation with potassium hydroxide. The results show that the adsorption isotherm for methylene blue follows the Langmuir model while it follows the Freundlich model and the maximum adsorption capacity was 909 mg/g for methylene blue and 262 mg/g for eriochrome black-T. The equilibrium contact time reached in about 90 minutes at lower concentrations and 120 minutes at higher concentrations. Two simplified kinetic models including pseudo-first-order and pseudo-second-order equations were selected to follow …