Chemistry Commons^™

Electronic Structures And Dielectric Function Of (5, 5) Cnt-C2h4o System: A First-Principles Study On The Detection Capability Of Cnt For Gas Sensing Applications, Alvanh Alem Pido, Art Anthony Munio

Turkish Journal of Chemistry

Carbon nanotubes (CNTs) are known to have a wide range of applications in various fields of discipline. In this research, the ability of metallic armchair (5, 5) CNT to detect acetaldehyde (C2 H4 O) was investigated using first-principles density functional theory (DFT) as implemented in Quantum ESPRESSO with the Generalized Gradient Approximation (GGA). Accordingly, it was found that C2 H4 O preserved the metallic behavior of the CNT. However, some bands are found to have overlapped in both the valence and conduction regions of the electronic structures of the resulting system that are mainly caused by the p orbitals of …

Characterization Of 1d And 2d Materials With Tip-Enhanced Raman Spectroscopy, María Olivia Avilés

Electronic Thesis and Dissertation Repository

Carbon-based materials, such as 1D single-walled carbon nanotubes (SWCNT) or 2D graphene, are promising materials for a variety of applications in energy storage, biosensors, and medical imaging applications. Similarly, beyond graphene, 2D transition metal dichalcogenides (TDM) that can have either a metallic or semiconducting character have gained interest for potential applications in electronics and photonics. Specifically, metallic TMDs such as vanadium disulfide (VS₂) show potential applications in optoelectronics and lithium-ion batteries. On the other hand, semiconducting TDMs like tungsten disulfide (WS₂) show a direct band gap, making them interesting for photovoltaic applications, transistors, or photodetectors. The …

A Core–Shell Au@Tio2 And Multi-Walled Carbon Nanotube-Based Sensor For The Electroanalytical Determination Of H2o2 In Human Blood Serum And Saliva, Ayman Ali Saeed, Mohammed Nooredeen Abbas, Waheed Fathi El-Hawary, Yousry Moustafa Issa, Baljit Singh

Articles

A hydrogen peroxide (H2O2) sensor was developed based on core–shell gold@ titanium dioxide nanoparticles and multi-walled carbon nanotubes modified glassy carbon electrode (Au@TiO2/MWCNTs/GCE). Core–shell Au@TiO2 material was prepared and characterized using a scanning electron microscopy and energy dispersive X-ray analysis (SEM/EDX), transmission electron microscopy (TEM), atomic force microscopy (AFM), Raman spectroscopy, X-ray diffraction (XRD) and Zeta-potential analyzer. The proposed sensor (Au@TiO2/MWCNTs/GCE) was investigated electrochemically using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The analytical performance of the sensor was evaluated towards H2O2 using differential pulse voltammetry (DPV). The proposed sensor exhibited excellent stability and sensitivity with a linear concentration …

A Highly Conductive, Flexible, And 3d-Printable Carbon Nanotube-Elastomer Ink For Additive Bio-Manufacturing, Andy Shar, Phillip Glass, Daeha Joung Ph.D.

Undergraduate Research Posters

The synthesis of a highly conductive, flexible, 3D-printable, and biocompatible ink has been of great interest in the field of bio-based additive manufacturing. Various applications include ultra-sensitive, microscale tactile sensors, patient-customizable scaffolds for cardiac and nerve tissue regeneration, and flexible electrocardiogram (ECG) electrodes. Here, a novel elastomeric carbon nanocomposite is presented consisting of amino-functionalized carbon nanotubes (CNT-NH₂) homogenously dispersed in a one-part room-temperature vulcanizing (RTV) silicone matrix. The use of acetone as a swelling solvent aids in electrical percolation through the elastomer matrix. CNT-NH₂ ratios can be tuned to fit various needs; higher tensile strength is favored …

Preparation Of Co1-XS-Mns@Cnts/Cnfs For Electrocatalytic Oxygen Reduction Reaction, Fang-Yan Liu, Qian Zhang, Yue-Kun Li, Feng Huang, Meng-Ye Wang

Journal of Electrochemistry

As an important cathode reaction in fuel cells and metal-air batteries, oxygen reduction reaction (ORR) is a complex reaction of slow kinetics, which severely limits performances of fuel cells and metal-air batteries. Therefore, it is of key importance to find an efficient and stable electrocatalyst to promote ORR. Carbon-based materials, which possess high conductivity, good stability and large specific surface area, are usually used in electrocatalytic ORR. However, pure carbon-based materials exhibit low efficiency. Coupling carbon-based materials with manganese (Mn) and cobalt (Co) transition metals containing 3d orbitals is an effective way to improve electrocatalytic performance. Herein, carbon nanofibers containing …

Development Of Novel Membranes For Nanocarbon Enhanced Separation With Application In Biofuels And Solvent Recover, Oindrila Gupta

Dissertations

Pharmaceutical industries historically have had one of the highest amounts of solvent waste generated per unit of drug manufactured. Energy requirements and carbon footprint of current solvent recycling processes tend to be quite high, and the incineration of the solvents for waste disposal produces toxic air emissions. Also, rapidly increasing demand for energy and strict regulation on engine pollutant emissions have necessitated the use of alcohol as carbon-neutral fuels. Thermal distillation is one of the most common methods for the separation of alcohol-water mixtures. However, its application is limited due to energy requirements and high operating costs, and heating to …

All-Carbon Conductors For Electronic And Electrical Wiring Applications, Federico Cesano, M. Jasim Uddin, Karen Lozano, Marco Zanetti, Domenica Scarano

Chemistry Faculty Publications and Presentations

Electrical conductors based on carbons have recently attracted a growing interest due to the prospect of replacing metals. Electrical conductors without metals could represent not only an alternative for traditional wiring, but also a step forward in the progress and advancing of technology. This result can be achieved by combining high electrical conductivity with other properties, that are dexterity, light weight, environmental stability, high strength and flexibility. As the best mechanical properties, high electrical/thermal conductivity of the assembled fibers are all generally associated with low concentration of defects in the fiber backbone and in the individual carbon “building blocks”, a …

Pressure Driven Desalination Utilizing Nanomaterials, Fangyou Xie

Master's Theses

Nanomaterials such as graphene oxide and carbon nanotubes, have demonstrated excellent properties for membrane desalination, including decrease of maintenance, increase of flux rate, simple solution casting, and impressive chemical inertness. Here, two projects are studied to investigate nanocarbon based membrane desalination. The first project is to prepare hybrid membranes with amyloid fibrils intercalated with graphene oxide sheets. The addition of protein amyloid fibrils expands the interlayer spacing between graphene oxide nanosheets and introduces additional functional groups in the diffusion pathways, resulting in increase of flux rate and rejection rate for the organic dyes. Amyloid fibrils also provide structural assistance to …

Investigation Of Glucose Oxidation At Gold Nanoparticles Deposited At Carbon Nanotubes Modified Glassy Carbon Electrode By Theoretical And Experimental Methods., Farhat Saira, Humaira Razzaq, Misbah Mumtaz, Safeer Ahmad, Muhammad Aftab Rafiq, Azra Yaqub, Nabiha Dilshad, Ayesha Ihsan, Muhammad Masood Ul Hasan

Karbala International Journal of Modern Science

In the current research work, AuNPs-CNTs nanocomposite was synthesized chemically and decoration of AuNPs on the surface of MWCNTs was confirmed by UV-Vis, SEM and XPS analysis. Synthesized nanocomposite was utilized for its application towards non-enzymatic glucose sensing by modifying glassy carbon electrode with nanocomposite employing electrochemical techniques. In addition, theoretical calculations were performed by Density Functional Theory (DFT), employing B3YLP with basis set 6- 311+G(d,p) in gaseous phase and LANL2DZ basis set. Both theoretical and experimental results predicted Au-CNTs composite as a better candidate for glucose oxidation as compared to CNTs and AuNPs alone, owing to the synergistic effect …

Stepwise Reduction Of Non-Planar Molecular Nanocarbons : From Functionalized Bowls To Helicenes And Nanohoops, Zheng Zhou

Legacy Theses & Dissertations (2009 - 2024)

Molecular nanocarbons, which can be considered as fragments of fullerenes, carbon nanotubes, or graphene, have stimulated the rapid development of carbon chemistry at the molecular level in recent decades. Molecular nanocarbons possess not only outstanding chemical and physical properties stemming from their parent carbon allotropes, but also present such unique features as controllable and scalable synthetic conditions, defined molecular compositions, uniform size, and relatively good solubility. These advances of molecular nanocarbons over conventional carbonaceous materials give rise to the development of such applications as electron transfer, energy transport and storage. However, future progress of these technologically-important fields requires a superior …

A Promising Modification Of Pt Surfaces With Cnts For Decreasing Poisoning Impact In Direct Methanol Fuel Cells, Islam M. Al-Akraa Dr., Yaser M. Asal Mr, Aya A. Khalifa Ms.

Chemical Engineering

Direct methanol fuel cells (DMFCs) are clean energy sources that have many applications due to the high energy density of methanol as a fuel. However, this type of fuel cells (FCs) has limitations that are preventing it from being commercialized. One such limitation is the adsorption of intermediates such as CO into the surface of the Platinum (Pt) catalyst during methanol oxidation (MO) which deactivates its active sites, where the reaction is taking place, and leads to poisoning of the electrode over the long term. In this study, multi-walled carbon nanotubes (MWCNTs) have been introduced to the Pt-modified glassy carbon …

A Simple And Effective Way To Overcome Carbon Monoxide Poisoning Of Platinum Surfaces In Direct Formic Acid Fuel Cells, Islam M. Al-Akraa Dr., Yaser M. Asal Mr, Sohair A. Darwish Ms

Chemical Engineering

A glassy carbon (GC) electrode modified with multi-walled carbon nanotubes (MWCNTs) and platinum nanoparticles (PtNPs), Pt/MWCNTs-GC, has been introduced for formic acid electro-oxidation (FAO). A similar loading of PtNPs has been conserved for a proper comparison between the Pt/MWCNTs-GC and the unmodified Pt/GC electrodes. The modification with MWCNTs could enhance the loading of PtNPs onto the GC electrode in a way that minimizes its agglomeration and increases its dispersion in the CNTs network. This not only increases the surface area exposed to the reaction but also interrupts the contiguity of the Pt active sites minimizing the adsorption of the poisoning …

Functionalized Carbon Nanotubes In Hydrophobic Drug Delivery, Kun Chen

Dissertations

The direct incorporation of carboxylated carbon nanotubes (f-CNTs) into hydrophobic drug particles during their formation via anti-solvent precipitation is presented. The approach is tested using two drugs namely antifungal agent Griseofulvin (GF) and antibiotic Sulfamethoxazole (SMZ) that have very different aqueous solubility. It is observed that the f-CNTs dispersed in the water serve as nucleating sites for crystallization and are readily incorporated into the drug particles without altering crystal structure or other properties. The results show that the hydrophilic f-CNTs dramatically enhance dissolution rate for both drugs. The increased degree of functionalization leads to higher hydrophilicity and therefore faster dissolution …

Fabrication Of Mnox/Mwcnts-Gc Nanocatalyst For Oxygen Evolution Reaction, Islam M. Al-Akraa Dr., Yaser M. Asal Mr, Amr M. Arafa Eng.

Chemical Engineering

Manganese oxide (MnOx) and multiwalled carbon nanotubes (MWCNTs) are intended to modify the GC electrode for oxygen evolution reaction (OER). Optimization of MnOx loading is carried out and the deposition of 55 cycles was sufficient to obtain the highest activity toward OER. The stability of the catalyst is enhanced by the addition of MWCNTs. As a result, an amount of 22 kWh/Kg of O2 of energy is saved. Several techniques including cyclic voltammetry, linear sweep voltammetry, chronoamperometry, chronopotentiometry, field-emission scanning electron microscopy, and energy dispersive X-ray spectroscopy will be combined to track the catalyst activity and to determine its morphology …

Metal Nanoparticles/Carbon Nanotube Modified Electrodes For Voltammetric Determination Of Boron, Lokman Li̇v, Zekerya Dursun, Nuri̇ Naki̇boğlu

Turkish Journal of Chemistry

This study describes a sensitive and accurate voltammetric method for determination of boron using metal nanoparticles/carbon nanotube modified electrodes. The oxidation peak of Alizarin Red S (ARS) at -0.59 V in the boron-ARS complex formed in ammonium/ammonia buffer solution (pH 8.5) was evaluated as a response. The electrode modification conditions and experimental parameters affecting the peak height were optimized. The characteristics of modified electrodes were investigated using cyclic voltammetry, electrochemical impedance spectroscopy, scanning electron microscope, energy dispersive X-ray spectroscopy, high resolution transmission electron microscopy, and X-ray photoelectron spectroscopy. The limits of detection (3s$_{y/x})$ and the analytical ranges for gold nanoparticles/carbon …

Can Hcch/Hbnh Break B=N/C=C Bonds Of Single-Wall Bn/Carbon Nanotubes At Their Surface?, Tapas Kar, Peter Grüninger, Steve Scheiner, Holger F. Bettinger, Ajit K. Roy

Chemistry and Biochemistry Faculty Publications

The iminoborane (HBNH) molecule, which prefers cycloaddition reactions, selectively breaks a B=N bond of smaller diameter single-wall BNNTs and expands a ring at their surface, either at the edges or at the middle of the tube. Density functional theory (DFT) is used to test whether its organic counterpart HCCH can do the same with BNNTs. HCCH-BNNT complexes are identified and transition states located for these combination reactions. Also explored are possible reactions of HBNH with SWNTs and HCCH with SWNTs. Data suggest that B=N (C=C) bond breaking, followed by ring expansion at the surface may be possible. Although [2+2] cycloaddition …

Synthesis Of Na-, Fe-, And Co-Promoted Tio$_{2}$/Multiwalled Carbon Nanotube Composites And Their Use As A Photocatalyst, Alp Yürüm, Gürkan Karakaş

Turkish Journal of Chemistry

The use of multiwalled carbon nanotubes (CNTs) in sol-gel synthesized titanium dioxide (TiO$_{2})$ photocatalysts as templates was systematically studied. CNTs have high oxidative thermal stability and the controlled removal of CNTs can be achieved at lower temperatures under air flow by the use of Na, Fe, and Co as a catalyst. These catalysts helped to reduce the oxidation temperature of CNTs; thus anatase phase was achieved without significant sintering. The use of a promoter, heat treatment, and various heat treatment atmospheres was effective in specific surface area, crystallinity, and photocatalytic activity against methylene blue (MB) degradation. While the specific surface …

Characterization Of S-Swcnt/Pf-Pd Dispersions And Networks, Tamara N. El-Hayek Ms., Jeffrey Blackburn, Andrew Ferguson, Tammy Pheuphong

STAR Program Research Presentations

Single-Walled Carbon Nanotubes (SWCNTs) are being investigated for their use in a wide variety of renewable energy applications. Their unique physical properties contribute to desirable traits such as a high carrier mobility, strong optical absorption and tunable electronic band gap. Unfortunately, due to variability in certain parameters, SWCNTs are limited in their application. The major drawback is that SWCNTs are variable in size and type and typical synthetic methods are not selective. As a result, selective methods must be developed in order to sort these tubes and extract those which are desirable for a particular application. Though there are several …

Studies On Purification And Functionalization Of Carbon Nanotubes And Their Aqueous Phase Behavior, Zheqiong Wu

Dissertations

Carbon nanotubes (CNTs) are known to have unique mechanical, thermal and electrical properties which make them attractive for a wide range of applications ranging from batteries to sensors. CNTs are rolled up graphene sheets where the single-walled CNTs (SWCNTs) and multi-walled CNTs (MWCNTs) are classified according to the number of concentric rings. In this dissertation, the focus is on several different aspects of MWCNTs. These include purification, functionalization and colloidal behavior.

MWCNTs are insoluble in solvents and therefore some degree of functionalization is required prior to their real-world applications. Oxidation debris is generated during carboxylation which is usually the first …

Segmentation And Additive Approach: A Reliable Technique To Study Noncovalent Interactions Of Large Molecules At The Surface Of Single‐Wall Carbon Nanotubes, Ana M. Torres, Steve Scheiner, Ajit K. Roy, Andrés M. Garay-Tapia, John J. Bustamante, Tapas Kar

Chemistry and Biochemistry Faculty Publications

This investigation explores a new protocol, named Segmentation and Additive approach (SAA), to study exohedral noncovalent functionalization of single-walled carbon nanotubes (SWNTs) with large molecules, such as polymers, bio-molecules etc, by segmenting the entire system into smaller units to reduce computational cost. A key criterion of the segmentation process is the preservation of the molecular structure responsible for stabilization of the entire system in smaller segments. Noncovalent interaction of linoleic acid (LA, C18H32O2), a fatty acid, at the surface of a (10,0) zigzag nanotubeis considered for test purposes. Three smaller segmented models have been created from the full (10,0)-LA system …

Incorporating Carbon Nanotubes Into Carbon Fiber Via Surface Modification, Robert Benjamin Ripy

Masters Theses

Ever more advanced materials need to be designed to further the exploration of avenues of science and engineering. Metals and traditional composites are not meeting the needs of today’s stringent demands for lightweight and strong materials. There is a need for advanced materials that are lighter and stronger to replace conventional materials; carbon fiber composites became the obvious choice because of their outstanding mechanical properties. Polyacrylonitrile (PAN) based carbon fiber has reached its apex in terms of its strength to weight ratio. Carbon nanotubes (CNTs) offer a lightweight and potentially stronger alternative to PAN based fibers. However, it is difficult …

Removal Of Perfluorooctanoic Acid From Water Using Primitive, Conventional And Novel Carbonaceous Sorbent Materials, Christopher K. Brown

Theses and Dissertations

Polyfluoroalkyl Substances (PFAS), like perfluorooctanoic acid, have been used for the last 50 years in a wide variety of industrial processes and consumer-based products, including polymer additives, lubricants, fire retardants and suppressants, pesticides, and surfactants (Buck et al. 2015). The Department of Defense (DoD) has used PFAS-based Aqueous Film Forming Foam (AFFF) at fire training facilities and aircraft hangars. AFFF has contaminated approximately 600 sites classified as fire training facilities with PFAS (Huang, 2013).

This study focused on testing the most likely carbonaceous adsorbent compounds to remediate PFAS-contaminated sites on Air Force installations. Batch tests were performed to determine the …

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 …

Transparent, Stretchable, And Conductive Swnt Films Using Supramolecular Functionalization And Layer-By-Layer Self-Assembly, Tricia B. Carmichael, Akhil Vohra, R. Stephen Carmichael, Patigul Imin, Mokhtar Imit, Jagan Singh Meena, Alex Adronov

Chemistry and Biochemistry Publications

We demonstrate films of single-walled carbon nanotubes (SWNTs) on the elastomer polydimethylsiloxane (PDMS) that are stretchable, conductive, and transparent. Our fabrication method uses the supramolecular functionalization of SWNTs with conjugated polyelectrolytes to generate aqueous dispersions of positively- and negatively-charged SWNTs, followed by layer-by-layer self-assembly onto a PDMS substrate. Adding bilayers of positively- and negatively-charged SWNTs to the surface causes the sheet resistance and the % transmittance of the film to both progressively decrease. The sheet resistance decreases sharply in the first five bilayers as the layer-by-layer process efficiently establishes the percolation network, whereas the % transmittance declines more gradually. Films …

Degradation And Exciton Energy Transfer Studies In Single-Walled Carbon Nanotube Bundles, Abhishek Gottipati

Legacy Theses & Dissertations (2009 - 2024)

Single walled carbon nanotubes (SWNTs) due to their unique optical behavior, large surface area, robust mechanical strength and electrical properties make them one of the ideal candidates for sensing and opto-electronic applications. In this work, we explore the energy transfer (exciton energy transfer-EET) phenomena occurring between nanotubes in bundles, using resonance Raman spectroscopy.

Effect Of Carbon Nanotubes On Anodic Properties Of Ti/Ru-Ir-Sn Oxides, Feng Lian, Yong-Lei Xin, Bo-Jiang Ma, Li-Kun Xu

Journal of Electrochemistry

The Ru-Ir-Sn metal oxide anodes coated on titanium (Ti/Ru-Ir-Sn) were prepared by thermal decomposition. The effects of amounts of carbon naotubes (CNTs) on anodic properties were studied by TGA, SEM, EDS, cyclic voltammetry, EIS, polarization measurements and accelerated life test. The thermogravimetric analysis and EDS spectrum data showed that the high temperature oxidation decomposition of CNTs did not take place under the condition of the sintering temperature of 470 ℃, and the CNTS still existed in the anode coating in an element form. Compared with the contrast samples, the surface crack of the coating increased, but remained typical morphology. Adding …

Fabrication, Characterization, Optimization And Application Development Of Novel Thin-Layer Chromatography Plates, Supriya Singh Kanyal

Theses and Dissertations

This dissertation describes advances in the microfabrication of thin layer chromatography (TLC) plates. These plates are prepared by the patterning of carbon nanotube (CNT) forests on substrates, followed by their infiltration with an inorganic material. This document is divided into ten sections or chapters. Chapter 1 reviews the basics of conventional TLC technology. This technology has not changed substantially in decades. This chapter also mentions some of the downsides of the conventional approach, which include unwanted interactions of the binder in the plates with the analytes, relatively slow development times, and only moderately high efficiencies. Chapter 2 focuses primarily on …

Boosting Electrocatalytic Activity Of Nitrogen-Doped Graphene/Carbon Nanotube Composite For Oxygen Reduction Reaction, Yu Zhang, Jin-Song Hu, Wen-Jie Jiang, Lin Guo, Zi-Dong Wei, Li-Jun Wan

Journal of Electrochemistry

Developing low-cost catalysts with high electrocatalytic activity for oxygen reduction reaction (ORR) has recently attracted much attention because the sluggish ORR currently limits the performance and commercialization of fuel cells and metal-air batteries as well. Nitrogen doped carbon materials have been considered as a promising candidate for the replacement of high-cost and scarce Pt-based catalysts although their electrocatalytic activity still needs to be much improved. In this work, an improved nitrogen-doped graphene/carbon nanotubes composite (N-rGO/CNT) was developed as an efficient ORR electrocatalyst. It was found that the ORR activity of N-rGO/CNT composite could be significantly enhanced by introducing iron in …

A Sensitive And Label-Free Electrochemical Aptasensor Based On Signal Amplification Of Carbon Nanotubes, Chun-Yan Deng, Hui-Min Fan, Juan Xiang, Yuan-Jian Li

Journal of Electrochemistry

A label-free electrochemical sensing electrode for highly sensitive detection of adenosine was constructed based on the signal amplification of carbon nanotubes (CNTs). The change in the interfacial feature of the modified electrode was characterized by electrochemical impedance spectroscopy. Using [Ru(NH₃)₆]³⁺ as the signaling moiety, adenosine with concentrations as low as 0.027 nmol·L^-1 can be selectively detected. Additionally, the fabrication of this present aptasensor was simple, time-saving and cost-effective. Compared with other reported aptasensors, the proposed aptasensor had advantages of excellent sensitivity, selectivity and simplicity, which plays a potential role in development of aptasensor.

Design And Development Of A Novel Glucose Biosensor Based On The Ferrocene-Functionalized Fe3O4 Nanoparticles/Carbon Nanotubes/Chitosan Nanocomposite Film Modified Electrode, Hua-Ping Peng, Dai-Jun Zha, Wei Chen, Ai-Lin Liu, Xin-Hua Lin

Journal of Electrochemistry

A novel platform for the fabrication of glucose biosensor was successfully constructed by entrapping glucose oxidase (GOD) in a ferrocene monocarboxylic acid-aminated Fe₃O₄ magnetic nanoparticles conjugate (FMC-AFNPs)/chitosan (CS)/multiwall carbon nanotubes (MWNTs) nanocomposite. The formation of FMC-AFNPs could effectively prevent the leakage of ferrocene and retain its electrochemical activity. This GOD/FMC-AFNPs/CS/MWNTs matrix provided a biocompatible microenvironment for retaining the native activity of the immobilized GOD. Moreover, the presence of MWNTs enhanced the charge-transport properties of the composite and facilitated electron transfer between the GOD and the electrode for the electrocatalysis of glucose. Under the optimal conditions the designed …