Materials Chemistry Commons^™

Dynamic Simulation Of Oxygen Reduction Reaction In Pt/C Electrode For Proton Exchange Membrane Fuel Cells, Shang Li, Fen Zhou, Lei Chen, Mu Pan

Journal of Electrochemistry

It is an urgent need to reduce the Pt loading in electrode for practical fuel cell applications worldwide. Herein, we theoretically investigate the oxygen distribution, generated current, and minimum Pt loading of Pt/C electrode for practical applications based on kinetic model of oxygen reduction reaction. The results indicate that with increasing electrode effective thickness to 40 mm, serious concentration polarization is expected for Pt/C electrode. To generate a power density of 1.4 W⋅cm^-2 (2.1A⋅cm^-2@0.67 V) for fuel cell, the cathode catalyst layer thickness in PEMFC should be as thin as 3 mm. The minimum Pt loading will …

Synthesis Of Structurally Ordered Platinum-Iron Catalysts With Enhanced Oxygen Reduction Reaction Activity, Ye-Zheng Cai, Ming-Chuan Luo, Fang-Hui Wang, Zhao-Nan Sun, Hong Zhu

Journal of Electrochemistry

To improve oxygen reduction reaction catalytic activity of the precious metals platinum for fuel cell, the precursors of carbon-supported structurally disordered platinum-iron alloy (D-Pt₃Fe/C and D-PtFe/C) catalysts with different compositions were synthesized via a modified polyol reduction method. Then, by optimizing the annealing conditions in the inert gas, we turned the structurally disordered platinum-iron alloy to the structurally ordered platinum-iron alloy (O-Pt₃Fe/C and O-PtFe/C) catalysts. The structural characterizations of the as-prepared catalysts were performed by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), inductively coupled plasma-atomic emission spectroscopy (ICP-AES), and X-ray photoelectron spectroscopy (XPS). The results …

Rambling Between "Zhong Yong" And "Catalysis", Zi-Dong Wei

Journal of Electrochemistry

“Zhong Yong” represents a traditional Chinese wisdom, which was first proposed by Confucius and continuously richened by his followers. “Zhong Yong” pursues the balances among all kinds of contradictions, and insists that neither “too much” nor “not enough” is good. For a successful catalyst, on which the adsorption of reactants must be not so strong and not so weak either. On this point of view, there are the same pursuits for “Zhong Yong” and catalysis. In this paper, the author starts his story with a conversation between Confucius and his student, followed by 3 interesting stories happening in the ancient …

Nitrogen, Fluorine Co-Doped Silk-Derived Carbon For Electrochemical Oxygen Reduction With High Performance In Alkaline Solution, Fang-Fang Liu, Hong-Liang Peng, Shi-Jun Liao

Journal of Electrochemistry

A high-performance, doped carbon-based catalyst was synthesized by pyrolyzing hydrothermally treated silkworm cocoon. The effects of preparation conditions and fluorine promotion on various catalysts’ performance were investigated. The catalyst prepared under optimal conditions and doped with nitrogen and fluorine possessed the high specific surface area of more than 1000 m^2⋅g^-1 and contained 3.5 and 7.3% (by mass, the same below) N and F, respectively. The activity of the catalyst toward oxygen reduction reaction in an alkaline medium was comparable to that of commercial Pt/C, showing both superior tolerance to methanol poisoning and better durability. Doping with fluorine …

To Bend Or Not To Bend – Are Heteroatom Interactions Within Conjugated Molecules Effective In Dictating Conformation And Planarity?, Gary Conboy, Howard J. Spencer, Enrico Angioni, Alexander L. Kanibolotsky, Neil J. Findlay, Simon J. Coles, Claire Wilson, Mateusz B. Pitak, Chad Risko, Veaceslav Coropceanu, Jean-Luc Brédas, Peter J. Skabara

Chemistry Faculty Publications

We consider the roles of heteroatoms (mainly nitrogen, the halogens and the chalcogens) in dictating the conformation of linear conjugated molecules and polymers through non-covalent intramolecular interactions. Whilst hydrogen bonding is a competitive and sometimes more influential interaction, we provide unambiguous evidence that heteroatoms are able to determine the conformation of such materials with reasonable predictability.

Photocatalytic Properties Of G-C3n4–Tio2 Heterojunctions Under Uv And Visible Light Conditions, Rachel Fagan, Declan Mccormack, Steven J. Hinder, Suresh Pillai

Articles

Graphitic carbon nitride (g-C3N4) and titanium dioxide (TiO2) were chosen as a model system to investigate photocatalytic abilities of heterojunction system under UV and visible light conditions. The use of g-C3N4 has been shown to be effective in the reduction in recombination through the interaction between the two interfaces of TiO2 andg-C3N4. A simple method of preparing g-C3N4 through the pyrolysis of melamine was employed, which was then added to undoped TiO2 material to form the g-C3N4–TiO2 system. These materials were then fully characterized by X-ray diffraction (XRD), Brunauer Emmett Teller (BET), and various spectroscopic techniques including Raman, X-ray photoelectron …

Optimizing Chemical & Rheological Properties Of Rejuvenated Bitumen, Dominic Nguyen, Hamzeh Haghshenas Fatmehsari, Santosh Kommidi, Yong-Rak Kim

Department of Civil and Environmental Engineering: Dissertations, Theses, and Student Research

Bitumen has long been a material used in the construction of roadways, yet new pavement only consists of low fractions of recycled materials due to poor compatibility of aged bitumen and new materials. Thus, rejuvenators, chemical additives, have been used in an attempt to re-balance the chemical composition and restore the physical properties of aged bitumen back to its virgin state. A fundamental understanding of how one particular rejuvenator, soybean oil, revitalizes bitumen was investigated using a multi-scale approach.

Fourier-transform infrared spectroscopy (FTIR) was used to determine the changes in chemical properties of pure and rejuvenated virgin and aged samples. …

Biodegradable Copolymers Made With Magnesium Complexes, Reile M. Slattery, Joseph M. Fritsch

Seaver College Research And Scholarly Achievement Symposium

In this study, a bis-ligated magnesium complex was used to initiate the ring opening copolymerization of L-lactide (L-LA) and ϵ-caprolatone (ϵCL) and the isolated polymeric materials were characterized with NMR spectroscopy. First, the simultaneous feeding of both monomers resulted in the synthesis of homopolymer poly-lactic acid (PLA). Polymerization experiments with sequential addition of L-LA and ϵCL yielded surprising results. The ring opening polymerization of ϵCL yielded poly-caprolactone (PCL) which with the addition of L-LA yielded a di-block copolymer of PCL and PLA. The presence of the two homopolymer blocks in the copolymer was identified with ¹³C NMR where …

Synthesis And Characterization Of Organic-Inorganic Hybrid Materials For Thermoelectric Devices, Paige M. Huzyak

Masters Theses & Specialist Projects

The development of organic-inorganic hybrid materials is of great interest in thermoelectrics for its potential to combine the desirable characteristics of both classes of materials. Thermoelectric materials must combine low thermal conductivity with high electrical conductivity, but in most materials, thermal and electrical conductivity are closely related and positively correlated. By combining the low thermal conductivity, flexibility, facile processing, and low cost of organic components with the high electrical conductivity and stability of inorganic components, materials with beneficial thermoelectric properties may be realized.

Here, we describe the synthesis and characterization of anthracene-containing organic-inorganic hybrid materials for thermoelectric purposes. Specifically, POSS-ANT …

Colloidal Self-Assembly Of Multi-Fluorescent Silsesquioxane Microparticles, Niharika Neerudu Sreeramulu

Masters Theses & Specialist Projects

Self-assembly of colloidal microparticles is one of the strategies for making characteristic patterns. These versatile self-assemblies provide a route to elevate the efficiency of an electronic device. Silsesquioxane particles with various functionalities were synthesized by a modified Stöber condensation method. This thesis describes the synthesis of benzylchloride silsesquioxanes, benzylchloride-amine silsesquioxanes and amine-functionalized silsesquioxane particles with multi-fluorescent tags. The size and morphology of the particles were controlled by varying the concentration of base and anhydrous ethanol (solvent). The size distribution of particles was controlled by adjusting the molar ratios of organotrialkoxy silane, base, and ethanol concentrations. Through selective post-functionalization with fused …

Visible-Light-Responsible Co-Catalysts Enhanced By Graphene For Solar Energy Harvesting, Chen Ying

Masters Theses & Specialist Projects

This study focuses on the visible light response of hetero-structures of TiO2-graphene- MoS2 for solar energy harvestings. The commercial P25 TiO2 nano-particles, and selfprepared layered reduced graphene oxides (RG) and MoS2 were assembled for the targeted hetero-structure materials as visible-light responsible solar harvesting cocatalysts. The hydrothermal method was applied for nano-material synthesis, the reduction of graphene oxides, and bonding formation. Multiple characterization methods (SEM-TEM, XRD, XPS, UV-VIS, PL, FT-IR, TGA) have been applied to understand the electron-hole pair separation and recombination, and performance tuning in their visible-light photo-catalysis rhodamine B (Rh.B) degradations process

Compared to TiO2, an obvious red shift …

Enhancing The Photovoltaic Efficiency Of A Bulk Heterojunction Organic Solar Cell, Swapnil Ashok Sahare

Masters Theses & Specialist Projects

Active layer morphology of polymer-based solar cells plays an important role in improving power conversion efficiency (PCE). In this thesis, the focus is to improve the device efficiency of polymer-based solar cells. In the first objective, active layer morphology of polymer-solar cells was optimized though a novel solvent annealing technique. The second objective was to explore the possibility of replacing the highly sensitive aluminum cathode layer with a low-cost and stable alternative, copper metal. Large scale manufacturing of these solar cells is also explored using roll-to-roll printing techniques.

Poly (3-hexylthiophene) (P3HT) and phenyl-C61-butyric acid methyl (PCBM) were used as the …

Application Of Electrospray Ionization Mass Spectrometry For Ionic Liquids And Their Biodegradation Products, Sepideh Rahbarirad

Masters Theses

Ionic liquids (ILs) are organic salts with unique physico-chemical properties and are used as green alternatives to volatile organic solvents. ESI-MS is a sensitive technique to detect these stable, permanent ions. My research focused on (1) Identification of biodegradation products of ionic liquids and (2) Multiplexed tandem MS by modulation of ionization efficiency.

Studies, have demonstrated that ILs are toxic to the environment, which makes their biodegradability an important consideration. In this work, metabolites generated during the biodegradation of 1-butyl-3-methylimidazolium chloride (BMIM), a degradation resistant and commonly used ionic liquid, are identified using high performance liquid chromatography-mass spectrometry (LC-MS).

Multiplexed …

Characteristic Length Scales Of The Secondary Relaxations In Glass-Forming Glycerol, Sudipta Gupta, Eugene Mamontov, Niina Jalarvo, Laura Stingaciu, Michael Ohl

Faculty Publications

We investigate the secondary relaxations and their link to the main structural relaxation in glass-forming liquids using glycerol as a model system. We analyze the incoherent neutron scattering signal dependence on the scattering momentum transfer, Q , in order to obtain the characteristic length scale for different secondary relaxations. Such a capability of neutron scattering makes it somewhat unique and highly complementary to the traditional techniques of glass physics, such as light scattering and broadband dielectric spectroscopy, which provide information on the time scale, but not the length scales, of relaxation processes. The choice of suitable neutron scattering techniques depends …

An Effective Method For The Preparation Of High Temperature Stable Anatase Tio2 Photocatalysts, Rachel Fagan, Declan Mccormack, Suresh Pillai, Damian Synnott

Articles

An efficient, rapid and straightforward method for the preparation of nitrogen and fluorine (N, F) codoped high temperature stable anatase using a microwave pre-treatment is reported. Using a single source, ammonium fluoride (NH₄F) for both nitrogen and fluorine, effective doping of the precursor titanium isopropoxide (TTIP) was possible. These samples were characterised for their structural and optical properties using X-ray diffraction (XRD), Fourier transform IR (FTIR), Raman spectroscopy and UV-vis spectroscopy. In terms of the anatase to rutile transition enhancement using a novel microwave assisted technique, the sample prepared in a composition of 1:8 TiO₂: NH …

High Temperature Electrochemical Engineering And Clean Energy Systems, Brenda L. Garcia-Diaz, Luke Olson, Michael Martinez-Rodriguez, Roderick Fuentes, Hector Colon-Mercado, Josh Gray

Journal of the South Carolina Academy of Science

Global power demand is projected to more than double by 2050 and meeting this increased power demand will require maintaining or increasing power output from all existing energy sources while adding a large amount of new capacity. The power sources that have the greatest opportunity to fulfill this demand gap over this time period are clean energy sources including solar and nuclear power. One of the areas of expertise that SRNL has been applying to help with a variety of clean energy technologies is in high temperature electrochemistry. Savannah River National Laboratory (SRNL) in collaboration with industrial and university partners …

Toward High Performance Nanocarbon Fibers, Michaela R. Pfau

Master's Theses

High performance carbon fibers (CFs) have been a commercially available since their commercial boom in the 1970s, and are generally produced via carbonization of poly (acrylonitrile) (PAN). More recently, carbon nanomaterials like graphene and carbon nanotubes (CNTs) have been discovered and have shown excellent mechanical, thermal, and electrical properties due to their sp² carbon repeating structure. Graphene and CNTs can both be organized into macroscopic fibers using a number of different techniques, resulting in fibers with promising mechanical performance that can be readily multifunctionalized. In some cases, the two materials have been combined, and the resulting hybrid fibers have …

Electrochemical H2O2 Sensor Based On The Co-Immobilization Of Phosphmolybdic Acid And Graphene On Pedot Film Electrode With Nafion, Hao-Xian Zhou, Jun-Ming Zhang, Zhi-Yu Qu, Pan-Yu Zhang, You-Jun Fan

Journal of Electrochemistry

With a glassy carbon electrode (GCE) as the substrate, the poly(3,4-ethylenedioxythiophene) (PEDOT) film electrode was prepared through the electrochemical polymerization method, then a novel non-enzymatic electrochemical H₂O₂ sensor was fabricated by co-immobilizing phosphomolybdic acid and graphene with Nafion on the PEDOT/GCE electrode. The modified electrodes were characterized by scanning electron microscopy (SEM), while the responsive properties of the sensor to H₂O₂ were investigated by cyclic voltammetry and chronoamperometry. The results demonstrated that, under the optimized conditions, the sensor exhibited good electrocatalytic performance for H₂O₂ reduction. The current response of the sensor …

Improving The Electrochemical Properties Of Polyaniline By Doping With Silver Ions, Hui Xu, Jin-Juan Pu, Yong Chen, Jian Liu

Journal of Electrochemistry

Polyaniline (PANI) is an attractive candidate among the various conductive polymers based on its unique doping/de-doping behavior, intrinsic electrical conductivity, facile synthesis, and environmental stability. However, the poor conductivity and cycle stability in an acid medium have restricted its applications. Our work aims at solving the above problems effectively by doping silver ions into PANI. The PANI and PANI doped with silver ions (PANI/Ag⁺) were synthesized by a facile interfacial polymerization process, which used aniline as a starting material in toluene in contact with an aqueous solution of silver nitrate varied from 0.04 mol•L^-1 to 0.20 mol⋅L …

Adsorption Behavior Of Rhodamine 6g On Silver Surfaces Studied By Electrochemical Surface-Enhanced Raman Spectroscopy, Chan-Juan Chen, Cheng Zong, Guo-Kun Liu, Bin Ren

Journal of Electrochemistry

Rhodamine 6G (R6G) is one of the most common probe molecules employed in single molecule surface-enhanced Raman spectroscopy (SM-SERS). The study in adsorption behavior of R6G will help understand the interactions between R6G and surface. In this paper, we used electrochemical surface-enhanced Raman spectroscopy (SERS) to study the potential-dependent adsorption behavior of R6G on silver electrodes. Our results show that when the potential moved negatively, the orientation of R6G on silver surface changed from vertical to inclined adsorption. This result indicates that the abnormal SM-SERS spectra of R6G observed in the former SM-SERS studies from other research groups are due …