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Articles 31 - 60 of 69
Full-Text Articles in Semiconductor and Optical Materials
Reducing Switching Noise And Losses In Two-Stage Electric Power Converters, Abhijeet Prem
Reducing Switching Noise And Losses In Two-Stage Electric Power Converters, Abhijeet Prem
Student Research Symposium
Advancements in semiconductor devices are enabling the design of better electrical power converter systems. Wide Bandgap (WBG) switching devices from Silicon Carbide and Gallium Nitride can operate at high temperatures, voltages, and frequencies with faster turn-on/off periods, improving converter performance over silicon devices. However, WBG technology is still new, and the rapid switching transitions of these devices lead to issues such as voltage overshoots, ringing, and electromagnetic interference, which need to be addressed for widespread adoption. This work introduces a new control method for reshaping the switching voltages, which overcomes the disadvantages of fast transition time without increasing the system's …
Fabrication Of Two-Dimensional Material-Based Nano-Capacitors Using Bismuth Selenite (Bi2seo5) To Study Its Dielectric Properties, Major Kc
McKelvey School of Engineering Graduate Student Theses & Dissertations
In recent years, the demand for high-performance micro and nanodevices has surged, necessitating the exploration of novel dielectric materials to replace conventional silicon dioxide. Following the continuation of the Moorse law, as device dimensions reduce to nanoscale levels, the properties of silicon dioxide can degrade, leading to issues such as increased leakage current and reduced gate control. Materials with superior electrical properties, such as higher dielectric constant, lower leakage current, and better thermal stability allowing for the development of faster, more efficient, and more reliable devices are in higher demand than ever. Two-dimensional layered semiconductor nanomaterials represented by compounds such …
The Analysis Of Mechanical Exfoliation Of Graphene For Various Fabrication And Automation Techniques, Lance Yarbrough
The Analysis Of Mechanical Exfoliation Of Graphene For Various Fabrication And Automation Techniques, Lance Yarbrough
Physics Undergraduate Honors Theses
Mechanical Exfoliation
A Comprehensive Materials Approach To Thermal Management In Fiber Lasers, Bailey Meehan
A Comprehensive Materials Approach To Thermal Management In Fiber Lasers, Bailey Meehan
All Dissertations
Optical fiber-based amplifiers and lasers enable a great many useful devices and conveniences. Unfortunately, however, they can generate considerable heat during operation that drives the need for complex cooling solutions, thus reducing many of the size, weight, and power (SWAP) benefits for which fiber lasers are known. Additionally, at elevated temperatures, thermally-driven phenomena, such as Transverse Mode Instability (TMI), can be induced that limit the power-scaling of fiber lasers. The focus of this Dissertation is to explore novel approaches to thermal management in fiber lasers through judicious materials science and engineering to obviate the aforementioned limitations. Fibers studied in this …
Encapsulated 2d Materials And The Potential For 1d Electrical Contacts, Sarah Wittenburg
Encapsulated 2d Materials And The Potential For 1d Electrical Contacts, Sarah Wittenburg
Physics Undergraduate Honors Theses
The utilization of two-dimensional materials and heterostructures, particularly graphene and hexagonal boron nitride, have garnered significant attention in the realm of nanoelectronics due to their unique properties and versatile functionalities. This study focuses on the synthesis and fabrication processes of monolayer graphene encapsulated between layers of hBN, aiming to explore the potential of these heterostructures for various electronic applications. The encapsulation of graphene within hBN layers not only enhances device performance but also shields graphene from environmental contaminants, ensuring long-term stability. Experimental techniques, including mechanical exfoliation and stamp-assisted transfer, are employed to construct three-layer stacks comprising hBN-graphene-hBN. The fabrication process …
The Analysis Of Mechanical Exfoliation Of Graphene For Various Fabrication And Automation Techniques, Lance Yarbrough
The Analysis Of Mechanical Exfoliation Of Graphene For Various Fabrication And Automation Techniques, Lance Yarbrough
Mechanical Engineering Undergraduate Honors Theses
Mechanical Exfoliation of Graphene is an often-overlooked portion of the fabrication of quantum devices, and to create more devices quickly, optimizing this process to generate better flakes is critical. In addition, it would be valuable to simulate test pulls quickly, to gain insight on flake quality of various materials and exfoliation conditions. Physical pulls of graphene at various temperatures, pull forces, and pull repetitions were analyzed and compared to the results of ANSYS simulations, solved for similar results. Using ANSYS’ ability to predict trends in exfoliations, flake thickness and coverage using stress and deflection analyses were investigated. Generally, both strongly …
Volatile Crystalline Semiconductor Core Fibers, Thomasina Zaengle
Volatile Crystalline Semiconductor Core Fibers, Thomasina Zaengle
All Dissertations
Optical fibers play critical roles across many facets of everyday life from communications to e-commerce to sensing and security. The ubiquity of optical fibers arises from their intrinsic clarity and, as glasses, their ability to be thermally drawn at high speeds over long distances when suitably heated about their glass transition temperature. Sixteen years ago, the first thermally drawn crystalline core fibers were fabricated using the molten core method, whereby a melt is confined within a glass capillary tube that is then drawn to fiber. This opened the door to crystalline semiconductor core fibers, which are now the backbone of …
Germanium-Tin On Silicon For Integrated Photonics And Integrated Quantum Materials, Shang Liu
Germanium-Tin On Silicon For Integrated Photonics And Integrated Quantum Materials, Shang Liu
Dartmouth College Ph.D Dissertations
Group IV GeSn alloys are attracting attention due to their compatibility with the complementary metal-oxide-semiconductor (CMOS) process. On one hand, Ge-rich GeSn alloys with a tunable direct bandgap are well-suited to infrared (IR) photonic applications such as image sensors. On the other hand, Sn-rich GeSn alloys in diamond cubic α phase are topological quantum materials (TQM) holding potential for important quantum applications. However, directly growing GeSn on Si remains challenging due to the lattice mismatch. Regular epitaxial GeSn grown on a Ge buffer layer is not applicable to many photonic applications including CMOS image sensors (CIS) because the buffer layer …
Deep Selenium Donors In Zngep2 Crystals: An Electron Paramagnetic Resonance Study Of A Nonlinear Optical Material, Timothy D. Gustafson, Larry E. Halliburton, Nancy C. Giles, Peter G. Schunemann, Kevin T. Zawilski, J. Jesenovec, Kent L. Averett, Jonathan E. Slagle [*]
Deep Selenium Donors In Zngep2 Crystals: An Electron Paramagnetic Resonance Study Of A Nonlinear Optical Material, Timothy D. Gustafson, Larry E. Halliburton, Nancy C. Giles, Peter G. Schunemann, Kevin T. Zawilski, J. Jesenovec, Kent L. Averett, Jonathan E. Slagle [*]
Faculty Publications
Zinc germanium diphosphide (ZnGeP2) is a ternary semiconductor best known for its nonlinear optical properties. A primary application is optical parametric oscillators operating in the mid-infrared region. Controlled donor doping provides a method to minimize the acceptor-related absorption bands that limit the output power of these devices. In the present study, a ZnGeP2 crystal is doped with selenium during growth. Selenium substitutes for phosphorus and serves as a deep donor. Significant concentrations of native defects (zinc vacancies, germanium-on-zinc antisites, and phosphorous vacancies) are also present in the crystal. Electron paramagnetic resonance (EPR) is used to establish the …
Research On 3d Printing Resin Exposure Properties And Its Application On Centrifugal Microfluidic Platform Based On Fluorescence Detection, Zheng Qiao
LSU Doctoral Dissertations
This dissertation encapsulates significant advancements in the field of SLA 3D printing and centrifugal microfluidics. Central to the research is the development of a novel mathematical model for predicting trapped resin thickness in SLA 3D printing, a groundbreaking contribution that addresses a critical aspect of printing intricate structures. This model, the first to establish a mathematical relationship for resin thickness, is rooted in a comprehensive study of the resin curing process. The research leverages the concept of 'critical dosage' for resin curing, leading to a more refined and theoretically grounded approach for calculating curing thickness. Experimentation further validates the model, …
Shorting At Long Duration: Impact Of Extended Discharge Capacity On Battery Solid Electrolytes, Ryan C. Hill, Amanda S. Peretti, Leo J. Small, Erik D. Spoerke, Yang-Tse Cheng
Shorting At Long Duration: Impact Of Extended Discharge Capacity On Battery Solid Electrolytes, Ryan C. Hill, Amanda S. Peretti, Leo J. Small, Erik D. Spoerke, Yang-Tse Cheng
Chemical and Materials Engineering Faculty Publications
Long-duration energy storage (LDES) is critical to a stable, resilient, and decarbonized electric grid. While batteries are emerging as important LDES devices, extended, high-power discharges necessary for cost-competitive LDES present new materials challenges. Focusing on a new generation of low-temperature molten sodium batteries, we explore here unique phenomena related to long-duration discharge through a well-known solid electrolyte, NaSICON. Specifically, molten sodium symmetric cells at 110 ° C were cycled at 0.1 A cm−2 for 1–23 h discharges. Longer discharges led to unstable overpotentials, reduced resistances, and decreased electrolyte strength, caused by massive sodium penetration not observed in shorter duration discharges. …
Recent Advances In Solar Photo(Electro)Catalytic Nitrogen Fixation, Jun-Bo Ma, Sheng Lin, Zhiqun Lin, Lan Sun, Chang-Jian Lin
Recent Advances In Solar Photo(Electro)Catalytic Nitrogen Fixation, Jun-Bo Ma, Sheng Lin, Zhiqun Lin, Lan Sun, Chang-Jian Lin
Journal of Electrochemistry
Ammonia (NH3) is an essential chemical in modern society. It is currently produced in industry by the Haber-Bosch process using H2 and N2 as reactants in the presence of iron-based catalysts at high-temperature (400–600 oC) and extremely highpressure (20–40 MPa) conditions. However, its efficiency is limited to 10% to 15%. At the same time, a large amount of energy is consumed, and CO2 emission is inevitably. The development of a sustainable, clean, and environmentally friendly energy system represents a key strategy to address energy crisis and environmental pollution, ultimately aiming to achieve carbon neutrality. …
Micropatterning And Functionalization Of Single Layer Graphene: Tuning Its Electron Transport Properties, Miao-Miao Cui, Lian-Huan Han, Lan-Ping Zeng, Jia-Yao Guo, Wei-Ying Song, Chuan Liu, Yuan-Fei Wu, Shi-Yi Luo, Yun-Hua Liu, Dong-Ping Zhan
Micropatterning And Functionalization Of Single Layer Graphene: Tuning Its Electron Transport Properties, Miao-Miao Cui, Lian-Huan Han, Lan-Ping Zeng, Jia-Yao Guo, Wei-Ying Song, Chuan Liu, Yuan-Fei Wu, Shi-Yi Luo, Yun-Hua Liu, Dong-Ping Zhan
Journal of Electrochemistry
As a promising 2D material, graphene exhibits excellent physical properties including single-atom-scale thickness and remarkably high charge carrier mobility. However, its semi-metallic nature with a zero bandgap poses challenges for its application in high-performance field-effect transistors (FETs). In order to overcome these limitations, various approaches have been explored to modulate graphene's bandgap, including nanoscale confinement, external field induction, doping, and chemical micropatterning. Nevertheless, the stability and controllability still need to be improved. In this study, we propose a feasible method that combines electrochemical bromination and photolithography to precisely tune the electron transport properties of single layer graphene (SLG). Through this …
Effect Of Fabrication Parameters On The Ferroelectricity Of Hafnium Zirconium Oxide Films: A Statistical Study, Guillermo A. Salcedo, Ahmad E. Islam, Elizabeth Reichley, Michael Dietz, Christine M. Schubert Kabban, Kevin D. Leedy, Tyson C. Back, Weison Wang, Andrew Green, Timothy S. Wolfe, James M. Sattler
Effect Of Fabrication Parameters On The Ferroelectricity Of Hafnium Zirconium Oxide Films: A Statistical Study, Guillermo A. Salcedo, Ahmad E. Islam, Elizabeth Reichley, Michael Dietz, Christine M. Schubert Kabban, Kevin D. Leedy, Tyson C. Back, Weison Wang, Andrew Green, Timothy S. Wolfe, James M. Sattler
Faculty Publications
Ferroelectricity in hafnium zirconium oxide (Hf1−xZrxO2) and the factors that impact it have been a popular research topic since its discovery in 2011. Although the general trends are known, the interactions between fabrication parameters and their effect on the ferroelectricity of Hf1−xZrxO2 require further investigation. In this paper, we present a statistical study and a model that relates Zr concentration (x), film thickness (tf), and annealing temperature (Ta) with the remanent polarization (Pr) in tungsten (W)-capped Hf1−xZrxO2. …
Machine Learning Prediction Of Photoluminescence In Mos2: Challenges In Data Acquisition And A Solution Via Improved Crystal Synthesis, Ethan Swonger, John Mann, Jared Horstmann, Daniel Yang
Machine Learning Prediction Of Photoluminescence In Mos2: Challenges In Data Acquisition And A Solution Via Improved Crystal Synthesis, Ethan Swonger, John Mann, Jared Horstmann, Daniel Yang
Seaver College Research And Scholarly Achievement Symposium
Transition metal dichalcogenides (TMDCs) like molybdenum disulfide (MoS2) possess unique electronic and optical properties, making them promising materials for nanotechnology. Photoluminescence (PL) is a key indicator of MoS2 crystal quality. This study aimed to develop a machine-learning model capable of predicting the peak PL wavelength of single MoS2 crystals based on micrograph analysis. Our limited ability to consistently synthesize high-quality MoS2 crystals hampered our ability to create a large set of training data. The project focus shifted towards improving MoS2 crystal synthesis to generate improved training data. We implemented a novel approach utilizing low-pressure chemical vapor deposition (LPCVD) combined with …
Raman Spectroscopy Of Gan On Si With Varied Thin Film Thickness For High-Temperature Semiconductor Devices, Manika Tun Nafisa
Raman Spectroscopy Of Gan On Si With Varied Thin Film Thickness For High-Temperature Semiconductor Devices, Manika Tun Nafisa
Symposium of Student Scholars
This study explores the potential of GaN on Si thin films as a promising material for high-temperature semiconductor devices, owing to its impressive thermal properties and performance characteristics. Two GaN on Si samples were grown using Metal Organic Chemical Vapor Deposition (MOCVD), with different film thicknesses, and their potential for high-temperature applications was comprehensively assessed by performing Raman spectroscopy at various temperature levels. The experimental results provided valuable insights into the material's behavior at elevated temperatures. At 300°C, the GaN E2 (High) peak showed a Raman shift at 562.38 cm⁻¹ for high-thickness samples and 561.49 cm⁻¹ for low-thickness samples. …
Mbe Growth Of Sb Based Alloys Using Interfacial Misfit Arrays For Mwir Devices, Fatih Furkan Ince
Mbe Growth Of Sb Based Alloys Using Interfacial Misfit Arrays For Mwir Devices, Fatih Furkan Ince
Optical Science and Engineering ETDs
This thesis explores the monolithic integration of antimonide based narrow bandgap semiconductors on commercially available substrates for mid-wave infrared (MWIR) devices. The research focuses on the integration and growth of antimonide based alloys using the interfacial misfit dislocation (IMF) arrays to enhance the cost efficiency, manufacturability and performance. The study particularly investigates the relaxation mechanisms of antimonide alloys on InAs and InP substrates, assessing the impact of mismatch strain on the quality of epilayers. The IMF arrays are examined using high-resolution transmission electron microscopy (HR-TEM) and x-ray diffraction (XRD), revealing information about the effective strain relief mechanisms behind IMF arrays …
Thermal, Electrical, And Spin Transport: Encompassing Low-Damping Ferromagnets And Antiferromagnetic/Ferromagnetic Heterostructures, Matthew Ryan Natale
Thermal, Electrical, And Spin Transport: Encompassing Low-Damping Ferromagnets And Antiferromagnetic/Ferromagnetic Heterostructures, Matthew Ryan Natale
Electronic Theses and Dissertations
Continuing technological advancements bring forth escalating challenges in global energy consumption and subsequent power dissipation, posing significant economic and environmental concerns. In response to these difficulties, the fields of thermoelectrics, spintronics, and spincaloritronics emerge as contemporary solutions, each presenting unique advantages. Thermoelectric devices, based on the Seebeck effect, other a passive, carbon-free energy generating solution from waste heat. Although current thermoelectric technology encounters hurdles in achieving optimal efficiencies without intricate designs or complex materials engineering, recently research into low-damping metallic ferromagnetic thin films have provided a new method to enhance spin wave lifetimes, thus contributing to thermoelectric voltage improvements. As …
Characterization Of An Omega Type Bi-Anisotropic Material, Moriel Gindi
Characterization Of An Omega Type Bi-Anisotropic Material, Moriel Gindi
Theses and Dissertations
A theory is presented for the extraction of the complete set of material parameters for a bi-anisotropic sample consisting of conductive omega-type particles governed by the mm21′ point-group symmetry. A rectangular-to-square wave-guide can be used to obtain the required measurements by allowing three distinct orientations of the material. The focus of this work is to develop the appropriate theory detailing the derivation of how the material parameters are extracted from the measurements in an analytical methodology that is similar in manner to the well-known Nicolson-Ross-Weir (NRW) algorithm.
Spectroscopic Characterization Of Trivalent Holmium In Liyf4 And Bay2F8 Crystals, Vivian R. Hedberg
Spectroscopic Characterization Of Trivalent Holmium In Liyf4 And Bay2F8 Crystals, Vivian R. Hedberg
Theses and Dissertations
Yttrium-fluoride crystals doped with trivalent holmium are promising laser gain media for mid-infrared laser systems. To accurately model laser systems, a complete optical characterization of the laser gain medium is required. The key modeling parameters were obtained by a spectroscopic investigation of Ho3+ in LiYF4 and BaY2F8 crystal hosts. Several important mid-infrared laser transitions were characterized at nominal Ho3+ ion concentrations of 10-30 at.%. Polarized emission cross-sections were determined from the fluorescence spectra using the Füchtbauer-Ladenburg method. Polarized absorption cross-sections were obtained using the Integral Reciprocity method. The upper-state lifetimes were measured at room …
Residual Optical Absorption From Native Defects In Cdsip2 Crystals, Timothy D. Gustafson, Nancy C. Giles, Elizabeth M. Scherrer, Kevin T. Zawilski, Peter G. Schunemann, Kent L. Averett, Jonathan E. Slagle, Larry E. Halliburton
Residual Optical Absorption From Native Defects In Cdsip2 Crystals, Timothy D. Gustafson, Nancy C. Giles, Elizabeth M. Scherrer, Kevin T. Zawilski, Peter G. Schunemann, Kent L. Averett, Jonathan E. Slagle, Larry E. Halliburton
Faculty Publications
CdSiP2 crystals are used in optical parametric oscillators to produce tunable output in the mid-infrared. As expected, the performance of the OPOs is adversely affected by residual optical absorption from native defects that are unintentionally present in the crystals. Electron paramagnetic resonance (EPR) identifies these native defects. Singly ionized silicon vacancies (V-Si) are responsible for broad optical absorption bands peaking near 800, 1033, and 1907 nm. A fourth absorption band, peaking near 630 nm, does not involve silicon vacancies. Exposure to 1064 nm light when the temperature of the CdSiP2 crystal is near 80K converts …
The Effect Of Mechanical Strain On The Electronic Conductivity Of Α- Fe2o3: A Density Functional Theory Study, Sheriff Naziru Abdulmutalib
The Effect Of Mechanical Strain On The Electronic Conductivity Of Α- Fe2o3: A Density Functional Theory Study, Sheriff Naziru Abdulmutalib
Theses and Dissertations
Hydrogen has emerged as a promising future energy carrier due to its ability to produce zero carbon dioxide (CO2) emissions when burned. However, the limited natural abundance of hydrogen necessitates the development of cost-effective and environmentally friendly methods for large-scale hydrogen production. Among the different hydrogen production approaches, photoelectrochemical water splitting, which employs a photoanode material in a cell using solar energy to split water into hydrogen and oxygen, is the focus of this work. α-Fe2O3 (hematite) is a photoanode material that shows a promising future for hydrogen generation in a photoelectrochemical cells due to its cheapness, availability, and its …
Enhancing Electromigration Reliability In Solder Interconnects Through Microstructure Control And Thermomechanical Failure Mechanisms In Thin Metal Lines Under Surge Current Conditions, Hariram Mohanram
Material Science and Engineering Dissertations - Archive
The relentless miniaturization of semiconductor devices has intensified reliability challenges in electronic packaging, particularly for solder interconnects and thin metal lines. This dissertation investigates two critical failure mechanisms—electromigration (EM) and thermomechanical fatigue (TMF)—and explores strategies to mitigate these effects. Electromigration, driven by high-density current-induced atomic migration, significantly impacts solder interconnects. This study examines the role of Under-Bump Metallization (UBM) and solder microstructure in improving EM reliability. Findings reveal that thicker UBMs delay void nucleation and enhance EM resistance, while the absence of UBM leads to failure through vertical void propagation. Additionally, grain orientation, particularly the c-axis alignment in Sn grains, …
Nano-Patterned Si Structures For Optical Filters And Electro-Mechanical Relays: Fabrication, Characterization, Prospects, And Limitations, Md Ataul Mamun
Nano-Patterned Si Structures For Optical Filters And Electro-Mechanical Relays: Fabrication, Characterization, Prospects, And Limitations, Md Ataul Mamun
Theses and Dissertations
Nanofabrication technology, especially nanopatterning, is a rapidly advancing field that has already resulted in creating novel devices and holds promise for producing even more with unmatched performance. These techniques also allow us to gain insight into physical phenomena at the micro- and nanoscale. The ultimate performance of nanofabricated devices and their compatibility with existing Si-based CMOS technology hinge upon the careful selection of materials and precise design, coordinated with meticulous pattern transfer. In this work, we applied nanopatterning techniques on silicon to create optical filters for the shortwave infrared (SWIR) region and nanoelectromechanical system (NEMS) relay-based logic gates. Additionally, these …
Fabrication Of Smooth Sac305 Thin Film Via Magnetron Sputtering, M. Ojha, A. A. Elmustafa
Fabrication Of Smooth Sac305 Thin Film Via Magnetron Sputtering, M. Ojha, A. A. Elmustafa
Mechanical & Aerospace Engineering Faculty Publications
SAC305 (96.5 wt% Sn, 3 wt% Ag, 0.5 wt%Cu) solder is increasingly becoming popular due to its reliability good characteristics and performance in addition to the environmental concerns and regulations that restrict the use of lead in nano/microelectronic products. In nano/microelectronics, manufacturing smooth solder coatings free of defects such as voids and cracks, which can compromise joint reliability is crucial. Magnetron sputtering offers a high degree of control over film thickness and composition, resulting in films with excellent uniformity and adhesion. Despite these advantages, fabricating continuous and robust SAC305 films using magnetron sputtering remains a difficult task with limited research …
Optoelectrical Properties And Photostability Of Cspbbr3 Quantum Dots: Effects Of Dopants And Ligands, Md Shad Bin Salam
Optoelectrical Properties And Photostability Of Cspbbr3 Quantum Dots: Effects Of Dopants And Ligands, Md Shad Bin Salam
Theses and Dissertations--Chemical and Materials Engineering
Metal halide perovskite QDs have a great potential for displays and lighting because of their exceptional optoelectronic characteristics associated with quantum confinement effect. However, the stability in the environment during the applications of halide perovskite QDs remains a significant challenge, impeding their practicality and lowering their commercial scalability. High-temperature methods are well-established for producing doped perovskite QDs, the influence of room-temperature synthesis on thermal, size-dependent optical properties, and long-term stability remains inadequately understood. Also, there is a demand for strategies to increase the absorption of light, reduce trap states, and modify the energy levels of perovskite QDs.
In this study, …
Mechanochemical Synthesis Of Halide Perovskite Microcrystals, Xuan Huang
Mechanochemical Synthesis Of Halide Perovskite Microcrystals, Xuan Huang
Theses and Dissertations--Mechanical and Aerospace Engineering
Halide perovskites have emerged as a promising class of materials for various optoelectronic applications, including light-emitting diodes (LEDs), solar cells, photodetectors, and lasers, owing to their exceptional photophysical properties and ease of synthesis. Lead-based halide perovskites, despite their success, raise concerns regarding environmental toxicity, necessitating the exploration of lead-free alternatives. This thesis explores the synthesis and characterization of lead-free halide perovskites, focusing on tin-based variants, using a mechanochemical approach, which eliminates the use of toxic solvents and offers a sustainable synthesis route.
By employing a solventless mechanochemical method, lead-free tin-based halide perovskite microcrystals were successfully synthesized. This approach not only …
Development Of Synthetically Accessible Glycolated Polythiophenes For High-Performance Organic Electrochemical Transistors, Bowen Ding, Vianna N. Le, Hang Yu, Guanchen Wu, Adam V. Marsh, Edgar Gutiérrez-Fernández, Nicolás Ramos, Martina Rimmele, Jaime Martín, Jenny Nelson, Alexandra F. Paterson, Martin Heeney
Development Of Synthetically Accessible Glycolated Polythiophenes For High-Performance Organic Electrochemical Transistors, Bowen Ding, Vianna N. Le, Hang Yu, Guanchen Wu, Adam V. Marsh, Edgar Gutiérrez-Fernández, Nicolás Ramos, Martina Rimmele, Jaime Martín, Jenny Nelson, Alexandra F. Paterson, Martin Heeney
Chemical and Materials Engineering Faculty Publications
Four glycolated polythiophene-based organic mixed ionic-electronic conductors (OMIECs), PE2gTT, PE2gT, PT2gTT, and PT2gT are prepared by atom-efficient direct arylation polymerization, avoiding the need for toxic organometallic pre- cursors. PE2gT, PT2gTT, and PT2gT are operable in p-type accumulation mode organic electrochemical transistors (OECTs), with PT2gT displaying the best device performance with a μC* product figure-of-merit of 290 F cm−1 V−1 s−1 . A record volumetric capacitance among p-type glycolated polythiophene OMIECs of 313 F cm−3 is observed for PE2gT, ascribed to the high proportion- ality of polar components in its materials design. The good OECT performance of PE2gT with μC* = …
Machine Learning For Electronic Structure Prediction, Shashank Pathrudkar
Machine Learning For Electronic Structure Prediction, Shashank Pathrudkar
Dissertations, Master's Theses and Master's Reports
Kohn-Sham density functional theory is the work horse of computational material science research. The core of Kohn-Sham density functional theory, the Kohn-Sham equations, output charge density, energy levels and wavefunctions. In principle, the electron density can be used to obtain several other properties of interest including total potential energy of the system, atomic forces, binding energies and electric constants. In this work we present machine learning models designed to bypass the Kohn-Sham equations by directly predicting electron density. Two distinct models were developed: one tailored to predict electron density for quasi one-dimensional materials under strain, while the other is applicable …
“Zero” Porosity High Loading Nmc622 Positive Electrodes For Li-Ion Batteries, Haidar Y. Alolaywi, Kubra Uzun, Yang-Tse Cheng
“Zero” Porosity High Loading Nmc622 Positive Electrodes For Li-Ion Batteries, Haidar Y. Alolaywi, Kubra Uzun, Yang-Tse Cheng
Chemical and Materials Engineering Faculty Publications
LiNi0.6 Mn0.2Co0.2 O 2 (NMC622) is a widely used positive electrode material for lithium-ion batteries, including electric vehicles. In this work, we investigated the effects of porosity, ranging from “zero” to the typical 35%, on the electrochemical behavior of high- loading NMC622 electrodes. Although it is well known that the energy density of the electrode increases with increasing areal capacity and decreasing porosity, NMC-positive electrodes with exceedingly low porosity (e.g., near zero) and high loading (e.g., 4 mAh cm−2 ) have not been investigated. Here, we report an intriguing observation that the “zero porosity” NMC electrode can have higher capacity …