Materials Chemistry Commons^™

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 …

Design, Synthesis, And Characterization Of Phosphonate-Functionalized Diimide Ligands For Metal-Organic Framework Construction, Kenya Rosas, Jonathan Uribe

Posters - 2026

• Metal–organic frameworks (MOFs) are solid, porous materials composed of metalions reacted with organic linkers

• MOFs are customizable through variations in their metal ions, organic linkers, and the functional groups of the organic linker all yielding a structure with different properties

• MOFs have a variety of applications, ranging from storage and catalysis to drug delivery

• The synthesis and characterization of four phosphonate-based diimide ligands:
  • N,N´-bis(phosphonomethyl)-pyromellitimide (PPMI).
  • N,N´-bis(phosphonobenzyl)-pyromellitimide (PPMI-Ph).
  • N,N´-bis(phosphonomethyl)-3,3′,4,4′-biphenylenediimide (PBDI).
  • N,N´-bis(phosphonobenzyl)-3,3′,4,4′-biphenylenediimide (PBDI-Ph).

• These ligands were then coordinated with zinc or copper metal ions to make MOFs.

Investigation Of Fine-Grain Cu And Cu Alloys For Low-Temperature Hybrid Bonding Applications, Sarabjot Singh

Electronic Theses & Dissertations (2024 - present)

Hybrid bonding has emerged as a key enabler for next-generation three-dimensional (3D) integration, offering fine-pitch interconnects and improved electrical performance. However, conventional Cu–Cu hybrid bonding typically requires elevated temperatures to achieve sufficient diffusion and interface quality, posing challenges for temperature-sensitive device integration and process compatibility. This work investigates materials engineering approaches to enable low-temperature Cu–Cu bonding through both microstructure design and alloying strategies.

This work begins by examining grain refinement in Cu as a pathway to enhance diffusion through increased grain boundary density, providing efficient atomic transport without introducing additional elements. Three Cu-based systems Cu–Co, Cu–Ag, and Cu–Al were systematically …

The Chemistry Of Red Lipstick: The Impact Red Lipstick Has On Society, Lilliana Weldeslassie

Electronic Theses & Dissertations (2024 - present)

Cosmetic chemistry is deeply embedded in everyday life, shaping the products people use from morning to night. Among these, red lipstick stands out as a formulation that blends complex chemistry with a cultural meaning. This thesis examines the scientific foundations of red lipstick through its chemical composition, pigment structure, toxicological history, analytical methods, and evolving sustainability practices. Historically, red lipsticks relied on high-risk ingredients such as lead, mercury, and other toxic metals, reflecting an era before chemical safety and regulatory oversight were incorporated.²¹ Modern formulations have established safer synthetic dyes, natural waxes, plant-based oils, and stabilizers created to optimize …

Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran

Electronic Theses & Dissertations (2024 - present)

Anion exchange membrane water electrolysis (AEMWE) presents a promising pathway toward cost-effective and sustainable hydrogen production by integrating the chemical robustness of alkaline systems with the compact, zero-gap design of proton exchange membrane electrolyzers. However, the widespread implementation of AEMWE is limited by the availability of highly active and durable platinum-group-metal (PGM)-free catalysts and by an incomplete understanding of their degradation behavior under realistic operating conditions.

This dissertation focuses on the development, characterization, and mechanistic investigation of nanostructured MoNi₄–MoO₂-based electrodes for efficient and stable hydrogen generation under alkaline and membrane-integrated environments. MoNi₄–MoO₂ nanorods …

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 …

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.

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 …

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 …

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

Journal of Electrochemistry

No abstract provided.

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.

Integrating Multimodal Analysis For Chemical Detection In Victorian Bookcloth: Correlations, Advantages, And Limitations, Leila Ais, Abigail L. Hoermann, Jafer Aljorani

Student Scholar Symposium

The detection of heavy metals in Victorian textiles presents a set of unique analytical challenges that cannot be addressed through usage of a single modality. Here, we detail a novel multimodal analytical approach that integrates distinct yet complementary instrumentation: inductively coupled plasma-optical emission spectroscopy (ICP-OES) offering precise quantitative elemental analysis, portable X-ray fluorescence (pXRF) enabling rapid, affordable, and non-destructive detection, electron dispersive spectroscopy – scanning electron microscopy (EDS-SEM) mapping elemental distributions and sample topography, and X-ray diffraction (XRD) revealing crystalline structures. This comparative study highlights the strengths and limitations of each analytical technique, demonstrating how their combined use provides a …

Analysis Of Leakage In Nearshore Pipelines Using Fitness For Service Method To Ensure Mechanical Integrity Based On Api-579 Level 3, Elriandri Elriandri, Dedi Priadi

Journal of Materials Exploration and Findings

The Fitness for Service (FFS) analysis is performed as a quantitative assessment to evaluate the integrity condition of a pipeline. Essentially, FFS assessment helps determine whether equipment components can operate safely despite existing deficiencies. This evaluation is carried out using the Finite Element Method (FEM). In the case of an underwater pipeline that experiences leak due to anchor pull at the flange connection, it undergoes plastic deformation and is lifted approximately 1 meter. As a mitigation step, inspection and repairs have been carried out by the company. Subsequently, modeling is performed to reconstruct the deformation process of the pipeline. Then, …

Assessment Of The Melt Quality Of A 30% Scrap Adc12 Aluminium Alloy Using The Inclusion And Fluidity Measurement Instrument (Ifmi) With Mullite Ceramic Filters, Gusti Ruri Ruri Lestari, Sandya Ananda Riswan, Muhammad Anis, Ahmad Ashari, Paramita Vidya Ayuningtyas, Bambang Suharno Prof, Donanta Dhaneswara

Journal of Materials Exploration and Findings

The increasing demand for sustainable practices in the metal casting industry has driven the use of recycled aluminum alloys such as ADC12. However, the addition of aluminum scrap tends to increase oxide inclusions, which reduce melt fluidity and compromise casting quality. This study utilizes the Inclusion and Fluidity Measurement Instrument (IFMI), equipped with mullite ceramic filters, to assess the melt quality of ADC12 aluminum alloy containing 30% scrap. Fluidity and inclusion characteristics were evaluated at five pouring temperatures (660°C, 680°C, 700°C, 720°C, and 740°C). The results show that fluidity increased with temperature, reaching a peak of 84.6 g·s⁻¹ at 740°C, …

Equipment Criticality Analysis To Determine Asset Integrity Management System Scheme In Supporting Production Optimization Scenarios In The Aeging Field, Donny Andryanto, Donanta Dhaneswara

Journal of Materials Exploration and Findings

This research investigates the production decline and cost increase in the X&Y oil and gas fields from 2022 to 2023. Production fell by 34%, while production costs per barrel rose by 79%. To address these issues, a series of optimization processes are proposed. These aim to restructure and enhance the production facilities to reduce current production costs. The optimizations include reducing pressure at the PPP Platform in 2024. Additional steps include shutting down CPP-ORF 14” pipelines and most processes at CPP 2 Platform by 2027 to convert it into an accommodation platform. Further, the plan involves optimizing the release of …

An Overview Of Biomass-Derived Graphene Oxide And Its Characteristics For Future Sustainable Applications, Afif Wardana, Ahmad Nabil Shahab, Donanta Dhaneswara, Nofrijon Sofyan

Journal of Materials Exploration and Findings

The production of graphene oxide (GO) from biomass presents considerable promise as a sustainable alternative substitute for traditional semiconductors. Biomass waste, abundant and often underutilized worldwide, is distinguished by its high carbon content and regenerative characteristics, rendering it an optimal resource for sustainable material production. By heating its biopolymers, lignocellulosic biomass can be used as a new material to make graphene, which forms three-dimensional turbostratic crystallites. These crystallites, composed of partially defective aromatic carbon sheets with graphite-like characteristics, make it easier to create GO with specialized functions for cutting-edge applications. Its capability underscores the revolutionary potential of biomass waste in …

Morphological Test Of Areca Nut Fiber Ceramic Membrane Using Scanning Electron Microscopy Energy Dispersive X-Ray Mapping Spectroscopy, Amelia Marzain, Siti Umi Kalsum, Marhadi Marhadi, Ahmad Nabil Shahab

Journal of Materials Exploration and Findings

This study investigates the potential of ceramic membranes derived from areca nut fiber as a cost-effective and environmentally sustainable material for the removal of iron (Fe) and manganese (Mn) from groundwater. Two types of membranes were fabricated: one without activation and one chemically activated using 10% sodium hydroxide (NaOH). The morphological and elemental characteristics of both membranes were analyzed using Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray (EDX) mapping. The concentrations of Fe and Mn before and after treatment were measured using Atomic Absorption Spectroscopy (AAS). The NaOH-activated membrane exhibited a more porous surface structure and higher oxygen content, …

Synthesis Of Antibody Functionalized Polyaniline/Polystyrene/N-Gqds Composite Fibermats For Sweat Based Cortisol Biosensing Applications, Ashwin James

Honors Theses

Noninvasive, wearable biosensors capable of detecting stress biomarkers in sweat require electrodes that are flexible, conductive, insoluble in water, and highly sensitive at low concentrations of analyte. In this work, bovine serum albumin blocked and anti-cmab immobilized nitrogen doped graphene quantum dots integrated polyaniline/polystyrene composite fibermat electrodes (BSA/Anti-Cmab/N-GQDs/PANI/PS electrodes) were synthesized and evaluated as a potential platform for an electrochemical cortisol biosensor in sweat based systems. Polyaniline was utilized in order to provide electrical conductivity, while polystyrene served as a carrying polymer for mechanical support and its hydrophobicity. Composite fibermats were manufactured through Forcespinning™, followed by a secondary polyaniline graft …

Exploring Halogen Bonding Interactions In Cocrystals And Deep Eutectic Solvents, Madhushi Bandara

All Dissertations

Halogen bonding is a noncovalent intermolecular interaction analogous to hydrogen bonding that occurs between an electrophile and a nucleophile. This is often observed in compounds containing heavy halogens such as iodine and bromine. When these halogens are covalently bonded to another atom or molecule, preferably to an electron-withdrawing moiety, an electrophilic region called a sigma hole is created on the halogen atom on the extension of the covalent bond.

The first study of this dissertation presents a comprehensive characterization of eight newly synthesized triiodide salts using single-crystal X-ray diffraction, powder X-ray diffraction, thermal analysis (DSC and TGA), and Raman spectroscopy. …

Automation And Upgrading Of Custom Cold Wall Uhv-Cvd Reactor For Group Iv Material Development, Alexander Golden

Graduate Theses and Dissertations

Group IV alloys have shown promising results for infrared optoelectronic applications where III-V materials are currently dominant. The III-V material system has vacancies that Group IV materials can fill, most importantly complementary metal oxide semiconductor (CMOS) process compatibility making quality devices much cheaper and widely available compared to the current state of the art. Silicon, being an indirect band gap Group IV material, has poor performance in optoelectronic applications but is the dominant material for most of the electronic industry. However, when silicon is alloyed or substituted with other group IV materials, these optoelectronic properties can be enhanced and, in …