Materials Chemistry Commons^™

Synergistic V2ctₓ Mxene–Pani Hybrid With Expanded Interlayers For Ultrastable And High-Rate Pseudocapacitive Energy Storage, Amideddin Nouralishahi, Maryam Sharifi Paroushi, Mansour Razavi, Amarachi Clare Nnachor, Harish Singh, Manashi Nath

Chemistry Faculty Research & Creative Works

Recently, MXene-conducting polymer hybrids have emerged as promising electrode materials for sustainable energy storage applications, owing to their impressive electrochemical properties. Herein, we report the synthesis of vanadium carbide MXene nanoparticles (V2CT_x-MXene) using innovative Spark Plasma Sintering (SPS) technology followed by exfoliation steps. The V2CT_x nanoparticles were incorporated with PANI (MXene-PANI) by electrochemical polymerization of aniline monomers in the presence of V2CT_x nanolayers, to be used as a highly efficient material for charge storage application. PANI nanofibers form a conductive and porous architecture, which intercalates the V2CT_x nanoflakes. The resulting structure increases the interlayer spacing …

Probing Feni Alloys With Atomic Precision, Scipio Han, Kaushik Rajkumar Jayaprabha, Xin Qi

Wetterhahn Science Symposium Posters

We compared EAM and MEAM atomic potentials for modeling FeNi (tetrataenite), a rare 50/50 alloy found in meteorites. Picking 4 potentials, we calculated minimum lattice constants and order-disorder transition temperatures. MEAM potentials accurately predicted the experimental transition temperature, confirming that MEAM better captures FeNi's directional bonding.

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.

Raw Data For The Manuscript "Silicon-Stabilized Three-Dimensional Covalent Networks In High Entropy Diborides", Michael Yeung, Reza Mohammadi

Chemistry Department Faculty Scholarship

Abstract for data:

Raw data for the journal publication, Silicon-stabilized three-dimensional covalent networks in high entropy diborides. ReadMe file provided.

Abstract for Journal publication: 

High entropy ceramics offer a pathway to stabilize unconventional chemistries beyond traditional alloying rules. We report the incorporation of silicon into an AlB₂-type high entropy diboride, Cr_0.2Nb_0.2Si_0.2Ta_0.2Ti_0.2B₂, despite silicon violating classical Hume-Rothery rules for alloying. Arc melting produced a phase-pure, chemically homogeneous structure, as confirmed by powder X-ray diffraction (pXRD) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM–EDS). Silicon occupies …

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 …

Evaluation Of Chromium-Crosslinked Amps-Hpam Copolymer Gels: Effects Of Key Parameters On Gelation Time And Strength, Maryam Sharifi Paroushi, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Controlling CO₂ channeling in heterogeneous reservoirs remains a major challenge for both enhanced oil recovery (EOR) and secure geological storage. AMPS-HPAM copolymers exhibit high-temperature resistance and brine tolerance compared with conventional HPAM gels, making them well suited for the harsh environments associated with CO₂ injection. Chromium-based crosslinkers (CrAc and CrCl₃) were investigated because sulfonic acid groups in AMPS can coordinate with trivalent chromium ions, enabling dual ionic crosslinking and the formation of a robust gel network. While organic crosslinked AMPS-HPAM gels have been widely studied, the behavior of chromium-crosslinked AMPS-containing systems, particularly their gelation kinetics under …

Effect Of Ionic Strength On Gelation Time And Strength Of Amps-Based Polymer Gels, Maryam Sharifi Paroushi, Xuyang Tian, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Polymer gel treatment has been widely applied for improving sweep efficiency and controlling excessive water and gas production. Their performance depends on gelation time and final gel strength. In most studies, brine salinity is used to describe the effect of formation water on gel behavior. However, changing salinity also changes ionic strength and ion composition at the same time. Because of this coupling, it is difficult to identify the mechanisms controlling gelation, which has led to inconsistent trends in the literature. Increasing salinity has been reported to either slow or accelerate gelation and to weaken or strengthen gels depending on …

Utilizing Coal For Mesophase Pitch-Based Carbon Fiber Production: Precursors, Processes, And Progress, Christina M. Thompson

Theses and Dissertations--Chemistry

Graphitic materials possess unique properties due to the unique combination of layered crystalline structure and carbon’s low atomic weight. High performance carbon fiber is one such example, displaying exceptional strength-to-weight ratios, stiffness, and thermal and chemical resistance. These properties render high performance carbon fiber a critical structural reinforcement material in the manufacture of composites across various industries, such as for automotive and aerospace applications. However, balancing fiber performance with precursor and processing costs remains a challenge. As alternative carbonaceous feedstocks are explored, coal has gained interest for utilization in graphitic products as a relatively abundant and low-cost source of aromatic …

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 …

Multidentate Surfactant-Dependent Synthesis Of Giant Iridium Superstructures, Ramjee Balasubramanian, Maeren E. Hill

Chemistry & Biochemistry Faculty Publications

Giant superstructures of iridium, comprised of smaller spherical and slightly larger anisotropic nanoparticles, were synthesized by reducing iridium chloride in the presence of resorcinarene, a class of tetrameric macrocyclic polyphenols, with sodium borohydride in ethanol in 30 min under mild conditions. These superstructures were characterized by a range of techniques including TEM, HRTEM, EDS and other spectroscopic methods. The impact of the macrocyclic surfactant, its features and reaction conditions in dictating the formation of giant iridium superstructures was evaluated. The packing density of nanoparticles in these giant iridium superstructures could be altered qualitatively by varying the duration of the reaction, …

Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For Conformance Control In Ultra-High Temperature Reservoirs, Yanbo Liu, Tao Song, Caleb Kwasi Darko, Thomas P. Schuman, Mingzhen Wei, Baojun Bai

Chemistry Faculty Research & Creative Works

Preferential fluid flow remains a major challenge in subsurface energy production and gas storage operations, resulting in excessive water production in mature oil fields, reduced heat extraction in geothermal reservoirs, and low sweep and storage efficiency in CO₂-EOR projects. Polymer gels are widely used to mitigate high-permeability channels; however, conventional systems exhibit limited plugging efficiency and short lifetimes in ultra-high-temperature reservoirs due to poor thermal stability. This study presents a novel ultra-high-temperature-resistant preformed particle gel (UHT-PPG) developed for conformance control in reservoirs with temperatures of 150–275 °C and severe super-K or channeling problems. The material was evaluated in …

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 …

Re-Crosslinkable Hyper-Branched Polymer Gels Based On A Transamidation Reaction, Tao Song, Baojun Bai, Thomas P. Schuman

Patents

The present invention generally relates to the field of conformance control in oil fields, particularly to a re-crosslinkable preformed particle gel system, and composition thereof. The composition of the re-crosslinkable preformed particle gel system contains monomers, crosslinkers, a polymer matrix, and additives. Components in the composition for re-crosslinkable preformed particle gel in the present invention have excellent compatibility with each other, and the obtained gel has excellent long term high-temperature resistance property. Different from prior products, in the recrosslinkable preformed particle gel compositions according to embodiments of the present invention, the components that are used to re-crosslink the particle gels …

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 …

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 …

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 …

Improving Modeling Of Corrosion Products In The Primary Circuit Of Light Water Reactors Through The Experimental Determination Of Crud Characteristics, Sri Saravana Konganapuram Narasimma Bharathi

Electronic Theses & Dissertations (2024 - present)

High-temperature water flowing through the coolant circuits in pressurized water reactors (PWRs) creates a harsh environment, deteriorating these materials. This corrosion results in the formation of oxide layer(s) primarily composed of nickel ferrites, iron oxides, nickel oxides, and other nickel-iron-chrome spinel oxides. Being exposed to fluid with high flow rates and pressure, these oxide layers can be eroded, resulting in particulate fouling due to the release of corrosion products (Chalk River Unidentified Deposits, CRUD) into the coolant circuit. When CRUD subsequently deposits on fuel surfaces, it negatively affects the fuel performance (heat transfer and fuel failure); in addition, the particles …