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Full-Text Articles in Engineering Science and Materials

Selective Direct Electro-Oxidation Of C-H Bond, Yan-Mei Liao, Qian-Qian Wu, An-Lun Zhang, Ying-Hong Zhu, Chun-An Ma Jun 2017

Selective Direct Electro-Oxidation Of C-H Bond, Yan-Mei Liao, Qian-Qian Wu, An-Lun Zhang, Ying-Hong Zhu, Chun-An Ma

Journal of Electrochemistry

Carbon-hydrogen (C-H) bond is the most basic chemical bond in organic compounds. The activation and direct conversion of C-H bond are the effective methodology for synthesis of different kinds of organic compounds from alkane compounds. The oxidative activation and functionalization of C-H bonds constitute an important and challenging area of investigation. The electro-oxidative activation of C-H bonds to form new C-O, C-C and C-N bonds has proven to be interesting and important in organic chemistry using the clean electron as the oxidant. The target C-O, C-C and C-N compounds could be selectively achieved by choosing the appropriate electrode, supporting electrolyte …


Novel Composites Between Nano-Structured Nickel Sulfides And Three-Dimensional Graphene For High Performance Supercapacitors, Xiaomin Wang, Huanglin Dou, Zhen Tian, Jiujun Zhang Apr 2017

Novel Composites Between Nano-Structured Nickel Sulfides And Three-Dimensional Graphene For High Performance Supercapacitors, Xiaomin Wang, Huanglin Dou, Zhen Tian, Jiujun Zhang

Journal of Electrochemistry

In this paper, a three-dimensional graphene (3DG) network grown on nickel foam was employed as a template for synthesizing graphene-based composite materials of supercapacitor electrode. The composites (crystal Ni3S2 nanorods on the surface of 3DG (abbreviated as Ni3S2/3DG)) were obtained through a one-step hydrothermal reaction. The morphological and structural evolution of the Ni3S2/3DG composites were investigated by SEM, TEM, XRD and Raman spectroscopy. Detailed electrochemical characterization showed that the Ni3S2/3DG-coated electrodes exhibited both a specific capacitance as high as 1825 F·g-1 at 5 mV·s …


Designing Pt-Skin Of Pt-Based Bimetallic Electrocatalysts For Oxygen Reduction Reaction, Binwei Zhang, Yunxiao Wang, Yanfei Xu, Huakun Liu, Shixue Dou Apr 2017

Designing Pt-Skin Of Pt-Based Bimetallic Electrocatalysts For Oxygen Reduction Reaction, Binwei Zhang, Yunxiao Wang, Yanfei Xu, Huakun Liu, Shixue Dou

Journal of Electrochemistry

In the past decade, great advancement has been made in the development of nanocatalysts for energy conversion and storage. Pt-skin of Pt-based bimetallic has shown a great potential in the tuning the electronic structures of electrocatalytically active materials toward oxygen reduction reaction. Here, we offer a brief overview of the recent research on the design and preparation of catalysts. Our focus is paid on the systematic studies of preparation and performance of Pt-skin catalysts towards oxygen reduction reaction.


Recent Progress In Template-Assisted Synthesis Of Nitrogen-Doped Porous Carbons For Oxygen Electroreduction, Wenhan Niu, Ligui Li, Shaowei Chen Apr 2017

Recent Progress In Template-Assisted Synthesis Of Nitrogen-Doped Porous Carbons For Oxygen Electroreduction, Wenhan Niu, Ligui Li, Shaowei Chen

Journal of Electrochemistry

Nitrogen (N)-doped porous carbons are potential alternatives to precious metal catalysts for oxygen reduction reaction (ORR) at the cathodes of proton exchange membrane fuel cells and metal-air batteries. Template-assisted synthesis has been used extensively as a robust and versatile method in the preparation of such carbon catalysts, where the ORR activity has been found to be dependent on various structural parameters, such as the concentrations and molecular configurations of the dopants, and the porosity, surface accessibility and electrical conductivity of the carbon materials. In this review, we summarize recent progress in this area of research focusing on the design, preparation …


Comparative Studies Of Fe, Ni, Co And Their Bimetallic Nanoparticles For Electrochemical Water Oxidation, Maduraiveeran Govindhan, Brennan Mao, Aicheng Chen Apr 2017

Comparative Studies Of Fe, Ni, Co And Their Bimetallic Nanoparticles For Electrochemical Water Oxidation, Maduraiveeran Govindhan, Brennan Mao, Aicheng Chen

Journal of Electrochemistry

The design of efficient, durable, and earth-abundant electrocatalysts via environmentally compatible strategies for the oxygen evolution reaction (OER) is a vital for energy conversion processes. Herein we report a facile approach for the fabrication of low-cost and earth abundant metal catalysts, including iron (Fe), nickel (Ni), cobalt (Co), CoNi, and CoFe nanoparticles (NPs) on titanium (Ti) substrates through a one-step electrochemical deposition. Field-emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD) spectrocopy, X-ray photoelectron spectroscopy (XPS), and electrochemical techniques were employed to characterize these nanoparticles. Our electrochemical results revealed that among the five synthesized nanomaterials, the …


Impact Of Nafion Loading And Anion Adsorption On The Synthesis Of Pt Monolayer Core-Shell Catalysts, Lijun Yang, Dustin Banham, Elod Gyenge, Siyu Ye Apr 2017

Impact Of Nafion Loading And Anion Adsorption On The Synthesis Of Pt Monolayer Core-Shell Catalysts, Lijun Yang, Dustin Banham, Elod Gyenge, Siyu Ye

Journal of Electrochemistry

Carbon supported palladium (Pd) nanoparticles were used as a model core material for the synthesis of platinum (Pt) monolayer core-shell catalysts using rotating disk electrode method and a copper (Cu) under potential deposition technique. The impact of Nafion on the synthesis process was revealed by electrochemical testing with various Nafion contents. The existence of Nafion influenced the Cu under potential deposition, galvanic replacement and eventually the oxygen reduction reaction activity of the core-shell catalyst. However, as long as the Nafion content was less than 5 wt% in the test film, adding Nafion could help to bind catalyst onto the surface …


Comparison Of Oxygen Reduction Reaction Activity Of Pt-Alloy Nanocubes, Yongan Tang, Lin Dai, Shouzhong Zou Apr 2017

Comparison Of Oxygen Reduction Reaction Activity Of Pt-Alloy Nanocubes, Yongan Tang, Lin Dai, Shouzhong Zou

Journal of Electrochemistry

Alloying Pt with the first row non-noble transition metals has been demonstrated to increase the catalytic activity toward oxygen reduction reaction (ORR), which is the cathode reaction of the proton exchange membrane fuel cells (PEMFCs) and metal-air batteries. However, how much the ORR activity improvement comes from the alloying elements remains controversial. In this paper, the nanocubes of PtMn, PtFe, PtCo, and PtNi with the similar size and composition were prepared and their ORR activities were explored, in order to investigate the effects of alloying elements on the catalytic activity. The use of cubic shape particles minimizes the contribution to …


Electrodeposition Of Ruo2 Layers On Tio2 Nanotube Array Toward Co2 Electroreduction, Bei Jiang, Lina Zhang, Xianxian Qin, Wenbin Cai Apr 2017

Electrodeposition Of Ruo2 Layers On Tio2 Nanotube Array Toward Co2 Electroreduction, Bei Jiang, Lina Zhang, Xianxian Qin, Wenbin Cai

Journal of Electrochemistry

RuO2/TiO2 composite materials have multitude of electrocatalytic applications including but not limited to CO2 reduction reaction (CO2RR). RuO2/TiO2 electrodes were previously prepared by repetitive coating and thermal decomposition (TD) of a Ru(III) precursor solution on Ti substrate. In this work, electrochemical potential cycling is applied to deposit amorphous RuO2 (α-RuO2) layers onto TiO2 nanotube array (TNA) (RuO2CV/TNA) preformed on Ti foil. SEM, GIXRD, and voltammetry are applied to characterize the structures of the resulting RuO2CV/TNA. Ru loading on the RuO2 …


The Mathematical Theory Of Deformation Arrest In Large-Strain Dynamic Plasticity, Brendan A. Kullback Apr 2017

The Mathematical Theory Of Deformation Arrest In Large-Strain Dynamic Plasticity, Brendan A. Kullback

Mechanical Engineering ETDs

Ductile structural components subjected to explosive loadings exhibit a large range of behaviors. The response of beams, walls, and blast doors is estimated using two methods. The engineering level approaches are highly simplified and neglect much of the relevant physics while the use of finite element or shock-code simulation is expensive and not suited to rapid problem solving and parameter studies. In this dissertation, a medium fidelity reduced order modeling approach has been derived to capture the most relevant physics governing rupture of ductile bodies dynamically deforming in tension.

Solution of the inertially stretching jet is used to reveal the …


Formation Of Mound-Like Multiscale Surface Structures On Titanium By Femtosecond Laser Processing, Edwin Peng, Alfred Tsubaki, Craig A. Zuhlke, Ryan Bell, Meiyu Wang, Dennis R. Alexander, George Gogos, Jeffrey E. Shield Mar 2017

Formation Of Mound-Like Multiscale Surface Structures On Titanium By Femtosecond Laser Processing, Edwin Peng, Alfred Tsubaki, Craig A. Zuhlke, Ryan Bell, Meiyu Wang, Dennis R. Alexander, George Gogos, Jeffrey E. Shield

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

Surface Functionalization Technique • Femtosecond Laser Surface Processing (FLSP) • Utilize high power, femtosecond (10-15 s) laser pulses • Produce self-organized, multiscale surface micro/nanostructures • Diverse range of applicable substrates: semiconductors, metals, polymers, & composites

Why? • What are the different types of FLSP structures on Ti? • Physical evidence needed for FLSP formation models • Optimize FLSP of Ti for biomedical & other applications

How? • Obtain evidence of mound growth processes by examining underlying microstructure • Utilize dual beam Scanning Electron Microscope-Focused Ion Beam instrument to cross section surface structures & fabricate transmission electron microscopy samples


Performance Of Piperidine Ionic Liquid Based Mixed Electrolyte In Li/Licoo2 Cell, Hu Cheng, Xiao-Yan Nie, Ye-Dan Shen Feb 2017

Performance Of Piperidine Ionic Liquid Based Mixed Electrolyte In Li/Licoo2 Cell, Hu Cheng, Xiao-Yan Nie, Ye-Dan Shen

Journal of Electrochemistry

The N-methyl-N-ethyl (propyl, butyl) piperidinium bis (trifluo romethanesulfonyl) imide (PP12(3,4)TFSI) ionic liquids were prepared, and their influences on the performances of Li/LiCoO2 cells were investigated. The electrochemical performance and thermostability of ionic liquids based mixed electrolytes were characterized by electrochemical methods and thermogravimetric analysis. The results showed that the piperidine ionic liquids could improve the thermostability of organic electrolyte, and the size of their side chain had played an important role on the electrochemical performance of Li/LiCoO2 cell. The Li/LiCoO2 cell used the electrolyte mixed with PP13TFSI exhibited the best electrochemical performance among the three ionic liquids. …


The Problem Of The Anode Electrolyte In H-Type Electrolytic Cell For Electrochemical Reduction Of Carbon Dioxide, Rui Zhang, Wei-Xin Lv, Li-Xu Lei Feb 2017

The Problem Of The Anode Electrolyte In H-Type Electrolytic Cell For Electrochemical Reduction Of Carbon Dioxide, Rui Zhang, Wei-Xin Lv, Li-Xu Lei

Journal of Electrochemistry

Electrochemical reduction of carbon dioxide (CO2) was studied in the H-type electrolytic cell. It was found that the voltage between the cathode and the anode would increase during the long time electrolysis process, for this reason the electrolytic process would be unsustainable. After the experimental investigations carried out by constant potential electrolysis, constant current electrolysis, pH test and KHCO3 concentration analysis of anode electrolyte before and after the electrolysis, the increase in cell voltage might be caused by the following process: H+, that was generated from the anodic oxygen evolution reaction, reacted with HCO3 …


Effects Of Flame Retardant On The Rate Capability And Safety Performances Of The Soft-Package 5ah Lithium Ion Battery, Yan-Zhuo Lv, Xiao-He Wang, Yi-Ming Qin, Zhen-Bo Wang, Ke Ke Feb 2017

Effects Of Flame Retardant On The Rate Capability And Safety Performances Of The Soft-Package 5ah Lithium Ion Battery, Yan-Zhuo Lv, Xiao-He Wang, Yi-Ming Qin, Zhen-Bo Wang, Ke Ke

Journal of Electrochemistry

The 5 Ah soft packed lithium ion batteries with LiNi 0.4Co0.2Mn0.4 O2 as the positive electrode material and the organic electrolytes with different amounts of fire retardants as the electrolyte solution were prepared. The effects of the fire retardant amount (5 %,10 %,20 %) of the fire retardants on the rate performances, short-circuit characteristics and overcharged behaviors of the 5 Ah soft packed lithium ion battery were investigated by electrochemical methods. The results indicated that the best rate performances were obtained by adding 5 vol.% of the fire retardants in the electrolyte solution when the …


Application Of Composite Ionic Liquid In Electro-Oxidation Activation Of A C-H Bond, Zi-Ying Chen, Qian-Qian Wu, Jian-Qing Zhang, Ying-Hong Zhu, Chun-An Ma Feb 2017

Application Of Composite Ionic Liquid In Electro-Oxidation Activation Of A C-H Bond, Zi-Ying Chen, Qian-Qian Wu, Jian-Qing Zhang, Ying-Hong Zhu, Chun-An Ma

Journal of Electrochemistry

In this paper, the ionic liquid/carbon nanotube composite material was prepared through modifying the ionic liquid 1-ethyl-3-methylimidazolium acetate to multi-walled carbon nanotubes. The electro-oxidation properties of p-methoxy toluene (p-MT) were studied using the composite as an electrolyte. The effects of scanning speed, temperature and substrate concentration were studied by cyclic voltammetry and chronoamperometry. The electrochemical kinetics of p-MT in this system was also studied. The results showed that the electrochemical oxidation of p-MT in the composite electrolyte solution was irreversible. The process was mainly controlled by diffusion, and the diffusion coefficient (D) was 7.69×10-10 cm2·s-1. Increasing …


Electrochemical Nucleation Of Invar Alloy On Glassy Carbon Electrode, Xian-Jie Huang, Hui Yan, Shuai-Shuai Huang, Fang-Zu Yang, Zhong-Qun Tian, Shao-Min Zhou Feb 2017

Electrochemical Nucleation Of Invar Alloy On Glassy Carbon Electrode, Xian-Jie Huang, Hui Yan, Shuai-Shuai Huang, Fang-Zu Yang, Zhong-Qun Tian, Shao-Min Zhou

Journal of Electrochemistry

The linear sweep voltammetry, cyclic voltammetry and potential step methods were used to study the electrodeposition mechanism of Invar nickel-iron alloy (the mass fraction of nickel was 32~36%) on glassy carbon electrode surface in the weak acidic bath. The results demonstrate that the electrodeposition is was a diffusion controlled irreversible electrode process in this system. The Scharifker-Hill (SH) theory theoritic model (SH) were was used employed to fitting the experimental data and the result shows that the codeposition of Invar alloy on glassy carbon electrode surface conformed to the diffusion controlled three-dimensional instantaneous nucleation mechanism. The kinetic parameters were obtained …


Electrochemical Synthesis Of Porous Polyaniline Electrodes Using Hkust-1 As A Template And Their Electrochemical Supercapacitor Property, Qiong Luan, Chun-Feng Xue, Hong-Ye Zhu, Fu-Juan Yang, Xu-Li Ma, Xiao-Gang Hao Feb 2017

Electrochemical Synthesis Of Porous Polyaniline Electrodes Using Hkust-1 As A Template And Their Electrochemical Supercapacitor Property, Qiong Luan, Chun-Feng Xue, Hong-Ye Zhu, Fu-Juan Yang, Xu-Li Ma, Xiao-Gang Hao

Journal of Electrochemistry

Excellent electrode plays vital important role in the performance of supercapacitors. Polyaniline (PANI) with good conductivity is often used to prepare electrode. However, its available surface is limited and results in a poor supercapacitance in many cases. It is desirable to fabricate an electrode containing electroactive PANI with high surface area deriving from its porous structure. Here, the metal-organic framework (MOF) material with high surface area was selected as a hard template for synthesizing porous PANI. Microporous PANI composite electrodes (Micro-PANI/CC) were fabricated by depositing aniline on to carbon cloth (CC) pre-coated with MOF material of HKUST-1 using a unipolar …


Sn-Doped Α-Fe2O3 Photocatalyst Containing Oxygen Vacancy For Water-Splitting, Zu-Hua Wang, Dong-Fang Niu, Hui-Cheng Li, Rong-Bin Du, Heng Xu, Xin-Sheng Zhang Feb 2017

Sn-Doped Α-Fe2O3 Photocatalyst Containing Oxygen Vacancy For Water-Splitting, Zu-Hua Wang, Dong-Fang Niu, Hui-Cheng Li, Rong-Bin Du, Heng Xu, Xin-Sheng Zhang

Journal of Electrochemistry

The α-Fe2O3 nanoparticles containing oxygen vacancies were synthesized in atmospheric N2 by dip-dropping method without a high vacuum employed before annealing. The influences of annealing atmosphere and Sn-doping on the photocatalytic performance of α-Fe2O3 nanoparticles were studied by annealing the photocatalyst in N2 or air and adding SnCl4 to the precursor directly. The results showed that the current density of Sn-doping α-Fe2O3 annealed in N2 at 550 °C and 1.23 V (vs. RHE) was 35 times greater than that of pristine α-Fe2O3 annealed in …


Preparation And Electrochemical Properties Of Attapulgite-Supported Nitrogen-Doped Carbon@Nico2O4 Composites For Supercapacitors, Hui Wan, Zong-Rong Ying, Xin-Dong Liu, Jian-Jian Lu, Wen-Wen Zhang Feb 2017

Preparation And Electrochemical Properties Of Attapulgite-Supported Nitrogen-Doped Carbon@Nico2O4 Composites For Supercapacitors, Hui Wan, Zong-Rong Ying, Xin-Dong Liu, Jian-Jian Lu, Wen-Wen Zhang

Journal of Electrochemistry

In this work, the attapulgite-supported nitrogen-doped carbon (ANC) was prepared by in-situ chemically polymerizing polyaniline coating upon attapulgite, followed by high temperature heat treatment, and then NiCo2O4was reacted onto the surface of ANC by a combination of hydrothermal reaction and calcination to synthesize ANC@NiCo2O4 composites. The chemical composition and morphology of the samples were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and N2 adsorption/desorption. The electrochemical properties were evaluated by means of constant current charge discharge (GCD) and cyclic voltammetry (CV). …


Preparations Of Mno2 Reference Electrodes For Corrosion Monitoring Of Reinforced Concrete, Li Yang, Bing Xu, Hai Wang, Ze-Hua Dong Feb 2017

Preparations Of Mno2 Reference Electrodes For Corrosion Monitoring Of Reinforced Concrete, Li Yang, Bing Xu, Hai Wang, Ze-Hua Dong

Journal of Electrochemistry

In this work, the solid reference electrode was assemblied by using the electrochemically synthesized manganese dioxide (MnO2) (EMD) powder, gel electrolyte and thin mortar layer for the durability evaluation of concrete. The EMD reference electrode exhibited higher potential stability (< 10 mV drift) than the chemically synthesied MnO2 (CMD) based on half year potential tests in the saturated Ca(OH)2 solution and hardened mortar. In addition, the EMD electrode was almost insensitive to the presences of chloride ion and corrosion inhibitor. Electrochemical impedance and polarization curves indicate that the EMD electrode had lower charge transfer resistance,higher exchange current density and lower temperature coefficient than the …


An Investigation In The Performance Of Lithium Sulfur Battery With A Tic Coated Separator, Jian-Hua Fang, Yong Cao, Mao-Ping Yang, Ming-Sen Zheng, Quan-Feng Dong Feb 2017

An Investigation In The Performance Of Lithium Sulfur Battery With A Tic Coated Separator, Jian-Hua Fang, Yong Cao, Mao-Ping Yang, Ming-Sen Zheng, Quan-Feng Dong

Journal of Electrochemistry

To improve the specific capacity and cycle stability of lithium-sulfur (Li-S) battery, a TiC/Celgard coating separator was developed and its performance in Li-S battery was investigated. The electrochemical test results confirmed that the TiC coating layer could significantly increase the capacity and cycle stability. At a high rate of 2C, it still delivered the capacity of 650 mAh·g-1. At 0.5C, the specific capacity was maintained at 841.3 mAh·g-1 after 100 cycles.


Direct Electrochemistry Of Glucose Oxidase Based On Ws2 Quantum Dots And Its Biosensing Application, Chen-Lu Li, Hua-Ping Peng, Zhong-Nan Huang, Yi-Lun Sheng, Pei-Wen Wu, Xin-Hua Lin Feb 2017

Direct Electrochemistry Of Glucose Oxidase Based On Ws2 Quantum Dots And Its Biosensing Application, Chen-Lu Li, Hua-Ping Peng, Zhong-Nan Huang, Yi-Lun Sheng, Pei-Wen Wu, Xin-Hua Lin

Journal of Electrochemistry

In this study, a novel electrochemical glucose biosensor has been developed by immobilizing glucose oxidase (GOx) on tungsten disulfide quantum dots (WS2 QDs) on the surface of glassy carbon electrode (GCE). Transmission electron microscopy, UV-vis spectroscopy and cyclic voltammetry were employed to characterize the morphology, structure, and electrochemical behaviors of the as-prepared WS2 QDs and the biofilm modified electrode. The results suggested that the WS2 QDs could accelerate the electron transfer between the electrode and the immobilized enzyme, which enabled the direct electrochemistry of GOx without any electron mediator. Besides, the immobilized GOx in WS2 QDsfilm …


Application Of Adamantane Schiff Base Nickel Complexes/Graphene Oxide/Glassy Carbon Modified Electrode In Detection Of Carmine, Peng Guo, Zheng Liu, Hai-Ying Li, Li-Ming Ma Feb 2017

Application Of Adamantane Schiff Base Nickel Complexes/Graphene Oxide/Glassy Carbon Modified Electrode In Detection Of Carmine, Peng Guo, Zheng Liu, Hai-Ying Li, Li-Ming Ma

Journal of Electrochemistry

The Schiff base nickel complexes/graphene oxide/glassy carbon electrodes were prepared by embedded method and electrodeposition on which were used to quantitatively detect the contents of carmine. Cyclic voltammetry, chronoamperometry, scanning electron microscopy (SEM) and other methods were employed to characterize properties and morphologies of the modified electrodes. The results show that the adamantane double Schiff base nickel complexes/graphene oxide/glassy carbon electrode had high electric catalytic activity toward carmine oxidation reaction, and might provide an easy and quick way to detect carmine content with good reproducibility.


Preface To Special Topic: A Tribute To John Lumley, Kiran Bhaganagar, Thomas B. Gatski, William K. George Feb 2017

Preface To Special Topic: A Tribute To John Lumley, Kiran Bhaganagar, Thomas B. Gatski, William K. George

CCPO Publications

This Special Topic Section is dedicated to the life and memory of John Leask Lumley(1930-2015), professor and scientist extraordinaire.


Comment On "Roles Of Bulk Viscosity On Rayleigh-Taylor Instability: Non-Equilibrium Thermodynamics Due To Spatio-Temporal Pressure Fronts" Phys. Fluids 28, 094102 (2016), Robert L. Ash Feb 2017

Comment On "Roles Of Bulk Viscosity On Rayleigh-Taylor Instability: Non-Equilibrium Thermodynamics Due To Spatio-Temporal Pressure Fronts" Phys. Fluids 28, 094102 (2016), Robert L. Ash

Mechanical & Aerospace Engineering Faculty Publications

No abstract provided.


Assessment Of Potential Impacts To Surface And Subsurface Water Bodies Due To Longwall Mining, Christopher R. Newman, Zacharias Agioutantis, Gabriel Boede Jimenez Leon Jan 2017

Assessment Of Potential Impacts To Surface And Subsurface Water Bodies Due To Longwall Mining, Christopher R. Newman, Zacharias Agioutantis, Gabriel Boede Jimenez Leon

Mining Engineering Faculty Publications

Ground movements due to longwall mining operations have the potential to damage the hydrological balance within as well as outside the mine permit area in the form of increased surface ponding and changes to hydrogeological properties. Recently, the Office of Surface Mining, Reclamation and Enforcement (OSMRE) in the USA, has completed a public comment period on a newly proposed rule for the protection of streams and groundwater from adverse impacts of surface and underground mining operations (80 FR 44435). With increased community and regulatory focus on mining operations and their potential to adversely affect streams and groundwater, now there is …


Dft Study Of Adsorption Of Trimetallic Endohedral Fullerenes On Graphene, Nakul Nitin Karle Jan 2017

Dft Study Of Adsorption Of Trimetallic Endohedral Fullerenes On Graphene, Nakul Nitin Karle

Open Access Theses & Dissertations

A density functional theory (DFT) study on the geometric and electronic structure of C60 and Sc3N@C80 along with their adsorption on pristine single layer graphene (SLG) is presented. C60 is found to adsorb in two nearly degenerate configurations: (i) with a pentagon facing the SLG, which is the most stable one, and (ii) with a hexagon facing the SLG in a face-to-face perfect alignment, rarely common in Ï?â??Ï? interactions, 0.06 eV higher in energy. The calculated binding energy of 0.76 eV, which includes dispersion effects, is in good agreement with previous theoretical and experimental reports. On the contrary, Sc3N@C80 adsorption …


Electronic Structure Studies On Transition Metal Containing Endohedral Fullerenes, Carbon Onions And Zinc Sulfide Cages, Shusil Bhusal Jan 2017

Electronic Structure Studies On Transition Metal Containing Endohedral Fullerenes, Carbon Onions And Zinc Sulfide Cages, Shusil Bhusal

Open Access Theses & Dissertations

We present the most stable structures for VXSc3-XN@C2n (where X=1-3 and 2n=70, 76, 78 and 80) using a systematic procedure that involves all possible isomers of the host fullerene cages. Subsequently, a detailed investigation of structural and electronic properties of the lowest energy isomers is performed using density functional theory in combination with large polarized Gaussian basis sets. The search procedure developed involved structural optimizations of thousands of fullerenes and correctly identifies the experimentally observed VSc2N@C80 and V2ScN@C80 isomer as the most stable structures. The structural analysis shows that a few V-doped endohedral fullerenes do not follow the isolated pentagon …


Methods For Producing Graphene From Petroleum By-Products, Eva M. Deemer Jan 2017

Methods For Producing Graphene From Petroleum By-Products, Eva M. Deemer

Open Access Theses & Dissertations

N/A


Ac Susceptibility And Epr Investigations Of Superspin Dynamics In Manganese Oxide Nanoparticles, Mahesh Koirala Jan 2017

Ac Susceptibility And Epr Investigations Of Superspin Dynamics In Manganese Oxide Nanoparticles, Mahesh Koirala

Open Access Theses & Dissertations

We have investigated the superspin dynamics of 5 nm and 10 nm mixed state Mn3O4 nanoparticles utilizing ac-susceptibility and electron paramagnetic resonance measurements. The out of phase component of the ac-susceptibility measurements show a magnetic anomaly below (T


Raman Microscopic Analysis Of Internal Stress In Boron-Doped Diamond Thin Films, Emma M.A. Sundin Jan 2017

Raman Microscopic Analysis Of Internal Stress In Boron-Doped Diamond Thin Films, Emma M.A. Sundin

Open Access Theses & Dissertations

The correlations between induced stress on undoped and boron-doped diamond (BDD) thin films, sample chemical composition, and fabrication substrate are investigated in this study via confocal Raman microspectroscopic analysis. Stability of BDD films is relevant to fast-scan cyclic voltammetry, as film delamination and dislocation of BDD-coated electrodes that can occur during neurosurgical electrode implantation can negatively impact the biosensing reliability of this technique. Electrodes were fabricated by coating cylindrical tungsten rods using a custom-built chemical vapor deposition reactor. The results of the analysis reveal a direct correlation between regions of pure diamond and enhanced material stress, as well as preferential …