Materials Chemistry Commons^™

Stimuli-Responsive Proton Transfer: Photoacid Design, Co2 Sorbent Regeneration, And Polymer Applications, Melyse Ava Laud

Theses and Dissertations

Control over proton transfer enables the regulation of many pH-dependent chemical and material processes. Stimuli-responsive functional materials provide a means of achieving this control. Functional materials such as Metastable-state photoacids (mPAHs) reversibly release large amounts of protons when stimulated by light from a weakly acidic site within their structure. However, the dark acidities of previously reported mPAHs limit their use under basic conditions. To address this limitation, a benzimidazole-type mPAH was developed with an improved ground-state pKa of 11.9 and a metastable-state pKa of 9.8, enabling reversible proton transfer under mildly basic conditions. Additional mPAHs were examined to determine how …

Electrocatalytic Oxidation Of Ethylene Glycol To Glycolic Acid: From Mechanism And Catalyst Design To Emerging Neutral Electrolyte Systems, Man Zhang, Xue Li, Xin-Yu Peng, Lin Wang, Wen-Wen Chen, Yao-Yue Yang

Journal of Electrochemistry

Polyethylene terephthalate (PET) waste represents both an environmental burden and a loss of carbon resources. Alkaline depolymerization of PET yields terephthalic acid and ethylene glycol (EG). Electrocatalytic oxidation of EG to glycolic acid (GA), the monomer of biodegradable polyglycolic acid (PGA), offers a sustainable route driven by renewable electricity. However, the ethylene glycol oxidation reaction (EGOR) involves competing pathways toward C2 products (GA and oxalic acid) and C1 products (formic acid and CO₂), making selective GA production a central challenge. This review provides a comprehensive overview of recent progress in selective EG-to-GA electrooxidation from catalyst design, mechanistic understanding, …

Regularization-Based Crystallite Size Distribution Analysis Of Pt/C Catalysts From X-Ray Diffraction, Cheng-Long Ma, Wei-Yu Shi, Zhong-Jun Hou

Journal of Electrochemistry

Accurate determination of the platinum crystallite size distribution in carbon-supported platinum (Pt/C) catalysts is critical for evaluating both the initial performance and long-term durability of proton exchange membrane fuel cells (PEMFCs). Conventional characterization approaches—including transmission electron microscopy (TEM), small-angle X-ray scattering (SAXS), and the Scherrer equation—are limited by restricted statistical sampling, sensitivity to support interference, or the inability to resolve the full breadth of the size distribution. In this work, we present a regularization-based inversion framework that extracts the volume-weighted crystallite size distribution directly from X-ray diffraction (XRD) line profiles, without requiring any a priori assumption regarding the functional form …

Metal Oxide Semiconductor Gas Sensors For Exhaled Breath Cancer Biomarker Detection, Guang-Lan Chen, Hui-Hui Luo, Wen-Wen Peng, Shi-Yu Xu, Yu-Ting Li, Hui-Jie Ke, Si-Hui Zhong, Jia-Ao Wei, Tong Chen, Xiao-Kun Li, You-Lin Zhang, Wei Chen

Journal of Electrochemistry

Early cancer screening can significantly improve therapeutic outcomes, volatile organic compounds (VOCs) and other related gases in exhaled breath, as cancer-specific biomarkers, offer a novel approach for non-invasive diagnosis. Metal oxide semiconductor (MOS)-based gas sensors are pivotal for exhaled breath VOCs detection, featuring compact size, cost-effectiveness, and rapid response. This review summarizes the most recent five-year research advances in cancer biomarker detection, and clarifies the core mechanisms of electrical property changes from sensing material-VOCs interactions and key performance metrics including sensitivity, selectivity, humidity tolerance, response/recovery time, stability, and operating temperature. This review also highlights the optimization strategies of sensing materials …

Synthesis And Charge Transport Characterization Of 9,9'-Bifluorenylidene-Based Conjugated Molecules For Single-Molecule Conductance, Zach Moughamian, Jahnavi Badiganti, Jinjia Xu

Undergraduate Research Symposium

Molecular electronics explores the use of individual molecules as functional components in nanoscale electronic devices. In this project, fluorenone-based π-conjugated molecules including 9,9'-bifluorenylidene-S and triphenylamine-substituted derivatives were synthesized to investigate structure-property relationships relevant to molecular charge transport. The synthesized compounds were obtained in 13% and 27% yield respectively. ¹H NMR spectroscopy confirms characteristic aromatic resonances in the 7-9 ppm region consistent with the conjugated framework. UV–Vis spectroscopy reveals absorption maxima at 459 nm and 470 nm, indicating extended π-conjugation and donor-acceptor effects. Single-crystal X-ray diffraction confirms the structure of 9,9'-bifluorenylidene-S, which crystallizes in the monoclinic system (space group P2₁/c). In …

Characterization Of Combined Adsorption Using Fermi Levels, Molecular Dynamics, And Monte Carlo Simulations To Prevent Cu–Zn (111) Alloy Corrosion, Mushtaq Jerri Meften, Ammar Abdul Jabbar Kadhim, Mohammed Shafeeq Abed

Makara Journal of Science

Experimentally developing corrosion inhibitors requires a significant amount of money and time. In silico advancement empowers selecting inhibitor molecules based on their properties derived from theoretical studies, thereby reducing costs. Our main approaches include theoretical studies such as Fermi levels, electrostatic potential surface (EPS), Fukui indices, molecular dynamics stimulations, and Monte Carlo as indispensable tools to investigate the adsorption mechanisms of molecules 6-((5-(((3S,5R)-2-oxo-5-((2-(pyrazin-2-yloxy) thiazol-5-yl) thio) tetrahydro-2H-thiopyran-3-yl) oxy)isothia-zol-3-yl)thio) nicotinic acid (PTT), and (S)-2-((5-((6-((3-(2-thioxoethoxy)-1,2,4-thiadiazol-5-yl)thio)-1,6-dihydropyra-zin-2-yl)oxy)-1,3,4-thiadiazol-2-yl) thio) acetaldehyde (TTD) on the Cu/Zn (111) alloy. We electronically characterized PTT and TTD, which were proven effective inhibitors. Notably, all results suggested that the two exhibited high …

Lignin Valorization To Phenolic Compounds Over Metal Oxide-Modified Hierarchical Zsm-5 Zeolites Derived From Indonesian Minerals, Arnia Putri Pratama, Iman Abdullah, Yuni Krisyuningsih Krisnandi

Makara Journal of Science

Lignin, a key component of lignocellulosic biomass, offers significant potential as a renewable raw material for the sustainable production of aromatic chemicals. To investigate its heterogeneous catalytic depolymerization, benzyl phenyl ether (BPE) was used as a model compound. Hierarchical ZSM-5 catalysts were synthesized and modified with metal oxides (NiO and CuO). Belitung kaolin and Bayat natural zeolite, natural minerals from Indonesia, were used as silica and alumina sources to synthesize hierarchical ZSM-5 zeolite (labeled as ZSM-5N), which was compared with hierarchical ZSM-5 synthesized using pro-analysis precursors (labeled as ZSM-5S). Comprehensive physicochemical characterization using FTIR, XRD, BET, XRF, SEM-EDX, and NH₃-TPD …

Dense Platinum Nanoparticles Confined In Mn-N-C Nanocages For Robust Heavy-Duty Pemfcs, Lei Zhao, Zhen-Min Cao, Jia-Yu Zuo, Ming-Liang Yang, Hong-Yan Qiao, Jun-Song Chen, Rui Wu

Journal of Electrochemistry

High-loading Pt cathodes are essential for heavy-duty proton exchange membrane fuel cells but suffer from a critical tradeoff between ionomer sulfonate poisoning and nanoparticle instability. Herein, we report a spatial confinement strategy to encapsulate dense Pt nanoparticles (~51.8 wt%) within Mn/N-co-doped mesoporous carbon nanocages (denoted as Pt-MnNC). This architecture excludes bulky ionomers to create an ionomer-shielded environment against sulfonate poisoning, while Mn-N_x-mediated strong metal-support interactions anchor the Pt nanoparticles to prevent agglomeration and further boost durability. In the 5 × 5 cm² membrane electrode assembly tests, the Pt-MnNC catalyst delivers an exceptional power density of 1.26 W·cm …

Engineering Small-Sized Cations With Strong Solvation For High-Voltage Supercapacitors, Tong Huo, Pan Liu, Hao Chen, Peng Zhang, Zhen-Lei Chen, Guo-Fu Sun, Zhi-Qiang Shi, Jing Wang

Journal of Electrochemistry

Supercapacitors (SCs) have attracted much attention in the field of energy storage due to their high power density and long cycle life. However, their relatively low energy density limits their application in a wider range of fields. Methods to increase energy density include enhancing specific capacitance and extending operating voltage window. Herein, we report a novel electrolyte salt, tetramethylammonium bis(fluorosulfonyl)imide (TMA-FSI), the resulting electrolyte formed with propylene carbonate (PC), designated as TMF, exhibited a wide electrochemical stability window (ESW) of 5.09 V. On the one hand, we found that the small size of TMA⁺ enables it to enter the …

Efficient Acidic H2O2 Electrosynthesis Over Co Atoms Anchored On Nitrogen-Doped Hierarchical Porous Carbon, Xiao Huang, Zi-Hao Zhan, Hao-Xu Niu, Guan-Yu Luo, Jin-Tao Huang, Bo-Xuan Jin, De-Li Wang

Journal of Electrochemistry

The two-electron oxygen reduction reaction (2e⁻ ORR) presents a promising route for the on-site production of hydrogen peroxide (H₂O₂), offering a green alternative to energy-consuming anthraquinone process. However, the high selectivity toward the competing 4e⁻ ORR over the desired 2e⁻ pathway leads to low Faradaic efficiency for H₂O₂, posing a critical challenge in catalyst design. In this work, a nitrogen-doped hollow hierarchical porous carbon with anchored Co atoms (CoN/HPC) was constructed for high-performance H₂O₂ production. The as-prepared Co-N/HPC catalyst showed excellent 2e⁻ ORR performance, achieving …

Electrolyte Development And Interfacial Reactions At Multivalent Metal Anode For Next Generation Energy Storage Systems, Leslie Gates

Graduate Masters Theses

The increasing demand for safe, sustainable, and high-performance energy storage systems has driven significant interest in multivalent-ion batteries, including aluminum, magnesium, and zinc-based systems. These technologies have attracted attention due to their high theoretical energy densities, natural abundance, low cost, and environmentally benign nature. However, their development remains hindered by a limited fundamental understanding of electrolyte development and interfacial processes at the electrode–electrolyte interface, where complex electrochemical interactions govern battery performance and stability.

This thesis investigates electrode–electrolyte interactions in both a novel aluminum electrolyte and divalent magnesium and zinc systems. Beginning with the development and characterization of a novel aluminum …

Synthesizing Viscoelasticity: Living Polymers, Micro-Macro Relations, And Paths For Resolution, Adam M. Hasler

Graduate Masters Theses

This thesis investigates the relationship between macroscopic rheological signals and underlying microscopic dynamics in complex fluids, specifically focusing on ”living polymers” within the cetyltrimethylammonium bromide (CTAB) and sodium salicylate (NaSal) surfactant system. The research addresses the inverse parameterization problem, demonstrating how bulk measurements like zero-shear viscosity can mask fundamentally different physical topologies, such as purely cylindrical, reptating micelles versus highly branched networks. Through the successful synthesis of viscoelastically ”degenerate” samples, the study utilizes an array of characterization techniques including frequency sweeps, Large Amplitude Oscillatory Shear (LAOS) to resolve these unique underlying states. Furthermore, the work explores further avenues of study …

Neural Network Driven By Electrochemical Performance Data For Predicting The Discharge Termination Time Of Seawater Electrolyte-Based Metal-Air Batteries, Peng-Peng Shen, Yi-Chi Pan, Yu-Rong Liu, Lu-Dan Zhang, Ning Niu, Guan-Jun Wang, De-Kun Yang, Xin-Long Tian, Peng Rao

Journal of Electrochemistry

Seawater electrolyte-based metal-air batteries exhibit great promise for marine energy supply systems. However, conventional statistical analysis methods, though applicable to seawater metal-air battery lifetime prediction, have inherent limitations of insufficient prediction accuracy and large error. Herein, a deep time-series regression framework based on InceptionTime and incorporating prior-biased attention pooling is proposed to construct a nonlinear mapping between electrochemical performance sequences and the discharge termination time of catalysts. Specifically, chronoamperometric profiles are employed to extract long-term stability features, while prior knowledge derived from linear sweep voltammetry is introduced to strengthen the attention weighting over critical potential regions. Under a nested leave-one-catalyst-out …

Microwave-Assisted Synthesis Of Core-Shell Structured Pd@Pdptcufe Recessed Truncated Octahedral Nanocrystals For Multifunctional Electrocatalysis, De-Zhong Hu, Wen-Dan Jiang, Wei Keat Ng, Jun Yang, Xiong-Wu Kang

Journal of Electrochemistry

Developing cost-efficient and durable multifunctional electrocatalysts of hydrogen evolution reaction, oxygen reduction reaction and oxygen evolution reaction is crucial for improving energy conversion efficiency in electrolytic water splitting electrolyzer and advancing rechargeable zinc-air batteries. Polyhedral shaped nanocrystals with well-defined crystal facets represent a type of model catalysts that enables the exploration of structure-activity relationships. However, it is still very challenging to prepare alloy nanocrystals with multiple metal components due to their complicated redox potentials and mixing enthalpy. Herein, we report a rapid microwave-assisted polyol reduction method for syntheses of core-shell Pd@PdPtCu, Pd@PdPtCuNi, Pd@PdPtCuCo and Pd@PdPtCuZn octahedral nanocrystals, and recessed truncated-octahedral …

In Situ Electrochemical Characterization Techniques For Active Hydrogen In Electrocatalytic Nitrate Reduction To Ammonia, Hong-Mei Li, Mei Yi, Zhao-Yu Jin, Ming-Hao Xie, Khalid M. Omer, Yong Guo, Pan-Pan Li

Journal of Electrochemistry

Electrocatalytic nitrate reduction to ammonia (NitRR) represents a sustainable pathway that integrates environmental remediation with the production of high-value ammonia. However, the activity and selectivity of this process are limited by the generation, consumption, and dynamic equilibrium of the key transient intermediate—active hydrogen (*H). Precise modulation of *H necessitates a comprehensive understanding of its behavior, which relies fundamentally on advanced in situ electrochemical characterization techniques. However, a systematic review dedicated to the rational selection and application of in situ electrochemical techniques for the specific characterization of *H in NitRR, with clear definitions of each technique's "detectable targets, quantitative accuracy, and …

Unveiling Cuo-Doped Mwcnts Incorporated Polycaprolactone As Effective Photocatalytic Nanomembranes For Sequestrating Toxic Dyes From Industrial Wastewater And Antibacterial Applications, Hesham Moustafa, Mohamed Mousa, Mohamed Morsy, Gotdon Price, Mohamed H. Hemida, Samah A. Mohamed, Ahmed Helal

Nanotechnology Research Centre

Organic dyes, such as methylene blue (MB), are widely used in the textile and dyestuff industries, which can be released into the environment as major dye pollutants in wastewater, thereby causing serious environmental hazards. The present research aimed to synthesize effective CuO-doped multi-walled carbon nanotubes (MWCNTs) and incorporated into a renewable polycaprolactone (PCL) polymer at varied dosages (i.e., 3, 7, and 10 wt%) to fabricate photocatalytic nanomembranes for toxic dye sequestration. XRD, SEM and FTIR analysis were employed to characterize the structure, morphology and composition of prepared nanoparticles and PCL nanomembranes. The mechanical properties and antibacterial performance of prepared nanomembranes …

Synthesis, Thermal Stability, And Ionic Conductivity Of Phenyl-Extended Viologen Ditriflate Salts: Tailoring Properties Via Oxyethylene Chain Length, Seonghyeok L. Cox, Emily Moon, Si L. Chen, David King, Haesook Han, Pradip K. Bhowmik, Calvin Ng Yi Bin, Thamil Selvi Velayutham, Alfonso Martinez-Felipe

Chemistry and Biochemistry Faculty Research

Six new phenyl-extended viologen salts with oxyethylene groups paired with triflate anions (OTF) have been synthesized using anionic ring-opening and ring-closing reactions (ANRORC) and metathesis reactions with LiOTf salts. The salts, which contain terminal oxyethylene chains of varying lengths ((CH₂CH₂O)_n, n = 1, 2, 3, 4, 5, and 7), are named PEOn-OTF. These materials exhibit a fluorescence response and possess high thermal stability, with processing windows up to approximately 300 °C, as confirmed by thermogravimetric analysis. While samples with short chain lengths (n = 1, 2, and 3) undergo crystallization observed …

Techno-Economic Analysis Of Implementing Carbon Capture And Storage (Ccs) At The Punagaya 2×100 Mw Coal Power Plant, Ricky Andreas Kristianto Siringoringo, Rahma Muthia, Widodo Wahyu Purwanto

Journal of Materials Exploration and Findings

The increase in greenhouse gases due to the combustion of fossil fuels is one of the major drivers of global warming and consequently drives the development of low-carbon technologies such as Carbon Capture and Storage (CCS). The aim of this study is to evaluate the technical and economical feasibility of the implementation of CCS technology in the Punagaya Subcritical Coal-Fired Power Plant (CFPP) 2×100 MW as a part of the energy transition strategy towards Net Zero Emissions (NZE) 2060. The simulation was carried out using Aspen HYSYS software, including coal combustion, CO₂ capture through MDEA-PZ solvent, dehydration, transportation, and storage …

Exploring Red Palm Oil As A Sustainable Plasticizer For Carbon Black-Filled Ssbr/Br Tire Tread Compounds: A Comparative Evaluation Of Commercial Alternatives, Norma Arisanti Kinasih, Mohamad Irfan Fathurrohman, Santi Puspitasari, Dewi Kusuma Arti, Abdulhakim Masa

Journal of Materials Exploration and Findings

This study investigates the application of red palm oil (RPO) as an alternative vegetable oil resource to substitute petroleum-based plasticizers, which have environmental and health concerns, in carbon black (CB)-filled SSBR/BR tire tread compounds. The plasticizing effects of RPO were thoroughly evaluated by comparing them with a commercial bio-based plasticizer, Epoxidized Soybean Oil (ESBO), and two safer petroleum-based oils, Naphthenic Oil (NYNAS) and Treated Distillate Aromatic Extract (TDAE). The initial investigation shows that fatty acid composition is imposing regarding the plasticizing effect. The higher unsaturated fatty acid content in RPO than in ESBO improved tensile strength and degraded rolling resistance …

Metallurgical Investigation Of A Modified Eye Bolt Failure Caused By Improper Weld Extension, Specification Deviation, And Crevice Corrosion, Dimas Muhammad Fawwaz, Reza Miftahul Ulum, Johny Wahyuadi Soedarsono, Yudha Pratesa

Journal of Materials Exploration and Findings

A modified eye bolt from the David Arm Manhole Storage Tank underwent thorough metallurgical study due to the consequences of the bolt's malfunction during operation. Safety issues arose when the manhole door detached during operation. The mechanical testing and chemical composition analysis of the bolts indicated they were manufactured from an ASTM A193 Grade B7 material used for high-temperature bolting. This material did not conform to the engineering drawing, which mentioned SA 563A, which is about nuts, not bolts. This contradiction clearly shows that the eye bolt which was installed does not conform to the intended design. Welded connections of …