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Full-Text Articles in Chemistry

Immobilization Of Ni(Ii) On Amine-Functionalized Mesoporous Silica As Catalyst For Benzyl Alcohol Acetylation Reaction, Wardah Nabilah, Eko Sri Kunarti, Fajar Inggit Pambudi Sep 2024

Immobilization Of Ni(Ii) On Amine-Functionalized Mesoporous Silica As Catalyst For Benzyl Alcohol Acetylation Reaction, Wardah Nabilah, Eko Sri Kunarti, Fajar Inggit Pambudi

Makara Journal of Science

In this study, amine-functionalized and Ni(II)-immobilized mesoporous silica materials were synthesized. This research aimed to synthesize mesoporous silica based on rice husk ash functionalized with amine and immobilized with Ni(II). The activity of amine-functionalized and Ni(II)-immobilized mesoporous silica materials was studied for the acetylation of benzyl alcohol with acetic anhydride as the acetylating agent. First, mesoporous silica was synthesized using rice husk ash using the sol–gel method, followed by amine functionalization using (3-aminopropyl)triethoxysilane (APTES) and Ni(II) immobilization through ultrasonic treatment. The results obtained showed that amine-functionalized and Ni(II)-immobilized mesoporous silica (SiO2/APTES/Ni(II)) were successfully synthesized, confirmed by Fourier transform …


Research On Development Status And Strategy Of Advanced Materials In Guangdong-Hong Kong-Macao Greater Bay Area, Ziwei Zhao, Can Wang, Weihua Wang, Qingli Huang Sep 2024

Research On Development Status And Strategy Of Advanced Materials In Guangdong-Hong Kong-Macao Greater Bay Area, Ziwei Zhao, Can Wang, Weihua Wang, Qingli Huang

Bulletin of Chinese Academy of Sciences (Chinese Version)

Advanced materials are an important source of new quality productivity. Guangdong-Hong Kong-Macao Greater Bay Area is now facing the internal and external pressure of manufacturing upgrading, and there is an urgent need to play the leading and supporting role of advanced materials in the construction of modernized industrial system. This study combs through the basic situation of the development of materials science and industry in Guangdong-Hong Kong-Macao Greater Bay Area, analyzes its advantages, characteristics and problems in depth, and puts forward a number of suggestions around how to develop materials science, technology, and industry in the Greater Bay Area.


Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk Sep 2024

Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt pavements make up a majority of the essential transportation systems in the US. Asphalt mixtures age and degrade over time, reducing the pavement performance. Pavement performance critically depends on the aging of asphalt binder. The aging of asphalt binder during construction is traditionally modeled by rolling thin film oven (RTFO) testing, while aging during service life is modeled by pressure aging vessel (PAV) testing. Comparing these models to the aging of binders in actual pavements is limited because, to be used for current testing, binders must be separated from the pavement's aggregate by solvent extraction. Solvent extraction will, at …


Nuclear Magnetic Resonance (Nmr) Assessment Of Bio And Crude Oil-Based Rejuvenation, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk Sep 2024

Nuclear Magnetic Resonance (Nmr) Assessment Of Bio And Crude Oil-Based Rejuvenation, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt binders in pavements lose their stability through aging and eventually fail in the field. Using nuclear magnetic resonance (NMR) to monitor the primary longitudinal relaxation time of asphalt samples and the ratio of material that carries this primary relaxation time has been shown to indicate the impact of ultraviolet (UV) radiation on the aging of asphalt pavements. Longitudinal NMR relaxation was used to investigate two types of proposed asphalt rejuvenators, a bio-oil-based rejuvenator and a crude-oil-based rejuvenator. Two different binders with the performance grades (PG) 64-22 and 76-22 were considered for their interactions with the rejuvenators. After 72 h …


Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk Sep 2024

Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt pavements make up a majority of the essential transportation systems in the US. Asphalt mixtures age and degrade over time, reducing the pavement performance. Pavement performance critically depends on the aging of asphalt binder. the aging of asphalt binder during construction is traditionally modeled by rolling thin film oven (RTFO) testing, while aging during service life is modeled by pressure aging vessel (PAV) testing. Comparing these models to the aging of binders in actual pavements is limited because, to be used for current testing, binders must be separated from the pavement's aggregate by solvent extraction. Solvent extraction will, at …


Investigation Of Temperature, Solution Strength, And Applied Stress Effects On Cation Exchange Processes In Different Geosynthetic Clay Liner Products, Kendra Fuller Sep 2024

Investigation Of Temperature, Solution Strength, And Applied Stress Effects On Cation Exchange Processes In Different Geosynthetic Clay Liner Products, Kendra Fuller

Master's Theses

An extensive laboratory test program was conducted to analyze and compare the cation exchange processes in three different varieties of sodium bentonite (Na-B) geosynthetic clay liners (GCLs) over increased conditioning durations up to 32 days and investigate the effects of temperature, solution strength, and applied stress. The goal of this test program was to establish whether the variables of temperature, solution strength, and applied stress improved or degraded the engineering properties of GCLs in laboratory testing and municipal solid waste (MSW) landfill applications. The GCLs were conditioned in liquids of increasing ionic strength, using deionized water and 2, 50, and …


Electrified Membrane For Water Treatment And Resource Recovery: Advancing Multiscale Strategies In Gas-Involving Reactions, Jianan Gao Aug 2024

Electrified Membrane For Water Treatment And Resource Recovery: Advancing Multiscale Strategies In Gas-Involving Reactions, Jianan Gao

Dissertations

Multifunctional, modular, and scalable water treatment technologies that operate without chemical additives are crucial for addressing global water pollution challenges. While traditional membrane-based separation processes are crucial for ensuring clean water supplies, they primarily focus on pollutant removal rather than on the upcycling of pollutants into valuable resources. Electrified membrane filtration presents a robust alternative, utilizing minimal or no chemical additives and harnessing electrical power to directly reduce contaminants or produce reactive oxidants or reductants on-site.

This dissertation is dedicated to the development of innovative electrochemically reactive membranes designed to address three major challenges: (1) the engineering of electrocatalysts with …


Recent Advances On Ruthenium-Based Electrocatalysts For Lithium-Oxygen Batteries, Yu-Zhe Wang, Zhuo-Liang Jiang, Bo Wen, Yao-Hui Huang, Fu-Jun Li Aug 2024

Recent Advances On Ruthenium-Based Electrocatalysts For Lithium-Oxygen Batteries, Yu-Zhe Wang, Zhuo-Liang Jiang, Bo Wen, Yao-Hui Huang, Fu-Jun Li

Journal of Electrochemistry

Rechargeable lithium-oxygen (Li-O2) batteries have attracted wide attention due to their high energy density. However, the sluggish cathode kinetics results in high overvoltage and poor cycling performance. Ruthenium (Ru)-based electrocatalysts have been demonstrated to be promising cathode catalysts to promote oxygen evolution reaction (OER). It facilitates decomposition of lithium peroxide (Li2O2) by adjusting Li2O2 morphologies, which is due to the strong interaction between Ru-based catalyst and superoxide anion (O2) intermediate. In this review, the design strategies of Ru-based electrocatalysts are introduced to enhance their OER catalytic kinetics in …


Rate Law For Photoelectrochemical Water Splitting Over Cuo, Bo-Yuan Gao, Wen-Hua Leng Aug 2024

Rate Law For Photoelectrochemical Water Splitting Over Cuo, Bo-Yuan Gao, Wen-Hua Leng

Journal of Electrochemistry

Photocatalytic splitting of water over p-type semiconductors is a promising strategy for production of hydrogen. However, the determination of rate law is rarely reported. To this purpose, copper oxide (CuO) is selected as a model photocathode in this study, and the photogenerated surface charge density, interfacial charge transfer rate constant and their relation to the water reduction rate (in terms of photocurrent) were investigated by a combination of (photo)electrochemical techniques. The results showed that the charge transfer rate constant is exponential-dependent on the surface charge density, and that the photocurrent equals to the product of the charge transfer rate constant …


Numerical Analysis Of Explosion Characteristics Of Vent Gas From 18650 Lifepo4 Batteries With Different States Of Charge, Shi-Lin Wang, Xu Gong, Li-Na Liu, Yi-Tong Li, Chen-Yu Zhang, Le-Jun Xu, Xu-Ning Feng, Huai-Bin Wang Aug 2024

Numerical Analysis Of Explosion Characteristics Of Vent Gas From 18650 Lifepo4 Batteries With Different States Of Charge, Shi-Lin Wang, Xu Gong, Li-Na Liu, Yi-Tong Li, Chen-Yu Zhang, Le-Jun Xu, Xu-Ning Feng, Huai-Bin Wang

Journal of Electrochemistry

The combustion and explosion characteristics of lithium-ion battery vent gas is a key factor in determining the fire hazard of lithium-ion batteries. Investigating the combustion and explosion hazards of lithium-ion batteries vent gas can provide guidance for rescue and protection in explosion accidents in energy storage stations and new energy vehicles, thereby promoting the application and development of lithium-ion batteries. Based on this understanding and combined with previous research on gas production from lithium-ion batteries, this article conducted a study on the combustion and explosion risks of vent gas from thermal runaway of 18650 LFP batteries with different states of …


Winning Results Of The 2Nd Xiamen University Short Video Abstract Contest For Science And Technology Papers, Editorial Office Of J.Electrochem. Aug 2024

Winning Results Of The 2Nd Xiamen University Short Video Abstract Contest For Science And Technology Papers, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.


Winning Works From Journal Of Electrochemistry: The 2Nd Xiamen University Short Video Abstract Contest For Science And Technology Journal Papers, Editorial Office Of J.Electrochem. Aug 2024

Winning Works From Journal Of Electrochemistry: The 2Nd Xiamen University Short Video Abstract Contest For Science And Technology Journal Papers, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.


2024 "Electrochemical Research Paradigms" Summer School Successfully Held, Editorial Office Of J.Electrochem. Aug 2024

2024 "Electrochemical Research Paradigms" Summer School Successfully Held, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.


2024 World Fuel Cell Conference Held In Ningbo, Zhejiang, Editorial Office Of J.Electrochem. Aug 2024

2024 World Fuel Cell Conference Held In Ningbo, Zhejiang, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.


Upcoming Meeting-The 1St Young Investigator Symposium On Electrosynthesis, Chinese Chemical Society, Chinese Society Of Electrochemistry (Cse) Aug 2024

Upcoming Meeting-The 1St Young Investigator Symposium On Electrosynthesis, Chinese Chemical Society, Chinese Society Of Electrochemistry (Cse)

Journal of Electrochemistry

No abstract provided.


Application Of A Novel Plasma-Based Advanced Oxidation Process For Efficient And Cost-Effective Destruction Of Refractory Organics In Tertiary Effluents And Contaminated Groundwater, Itay Even-Ezra, Anat Mizrahi, Daniel Gerrity, Shane A. Snyder, Andrew Salveson, Ori Lahav Aug 2024

Application Of A Novel Plasma-Based Advanced Oxidation Process For Efficient And Cost-Effective Destruction Of Refractory Organics In Tertiary Effluents And Contaminated Groundwater, Itay Even-Ezra, Anat Mizrahi, Daniel Gerrity, Shane A. Snyder, Andrew Salveson, Ori Lahav

Civil and Environmental Engineering and Construction Faculty Research

Corona discharge is emerging as a promising advanced oxidation process (AOP) for the treatment of a variety of organic contaminants, including compounds that are not effectively destroyed by more common AOPs. This paper presents laboratory and field results describing the destruction of regulated and Contaminant Candidate List (CCL) compounds in tertiary treated wastewater effluent and contaminated groundwater during the operation of a novel hydro-non-thermal-plasma (HNTP) AOP system. The system generates a plasma discharge above the target water matrix, which emits an “electron wind”, ultraviolet (UV) irradiation, O3(g) and hydroxyl radicals (•OH) into a relatively thin water layer. The synergism …


A Coarse-Grained Molecular Dynamics Study Of Gas Hydrate Formation And Dissociation, Meisam Adibifard Aug 2024

A Coarse-Grained Molecular Dynamics Study Of Gas Hydrate Formation And Dissociation, Meisam Adibifard

LSU Doctoral Dissertations

The study of gas hydrates has increased significantly over the last two decades because of their potential application in energy storage, production and transportation, water desalination, refrigeration, gas separation, etc. There is a significant interest in commercially developing natural gas hydrates because the energy content of methane hydrate reservoirs (MHRs) is at least twice that of all conventional fossil fuels combined. Additionally, due to the higher storage capacity of hydrates, it is proposed to sequester CO2 in the form of CO2 hydrate, thereby reducing the amount of greenhouse gases. Hence, hydrates offer a dual solution to two of …


Green Synthesis Of Carbonized Chitosan-Fe3o4-Sio2 Nano-Composite For Adsorption Of Heavy Metals From Aqueous Solutions, Dalia A. Ali Eng, Rinad Galal Ali Eng. Aug 2024

Green Synthesis Of Carbonized Chitosan-Fe3o4-Sio2 Nano-Composite For Adsorption Of Heavy Metals From Aqueous Solutions, Dalia A. Ali Eng, Rinad Galal Ali Eng.

Chemical Engineering

Water pollution with heavy metals owing to industrial and agricultural activities have become a critical dilemma to humans, plants as well as the marine environment. Therefore, it is of great importance that the carcinogenic heavy metals present in wastewater to be eliminated through designing treatment technologies that can remove multiple pollutants. A novel green magnetic nano-composite called (Carbonized Chitosan-Fe3O4-SiO2) was synthesized using Co-precipitation method to adsorb a mixture of heavy metal ions included; cobalt (Co2+), nickel (Ni2+) and copper (Cu2+) ions from aqueous solutions. The novelty of this study was the synthesis of a new

nano-composite which was green with …


63rd Annual Rocky Mountain Conference On Magnetic Resonance Aug 2024

63rd Annual Rocky Mountain Conference On Magnetic Resonance

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 63rd annual meeting of the Rocky Mountain Conference on Magnetic Resonance, co-endorsed by the Colorado Section of the American Chemical Society and the Society for Applied Spectroscopy. Held in the Copper Conference Center, Copper Mountain, Colorado, August 4-8, 2024.


Feasibility Study Of Using Energy Extracted From The Process Of Electrochemically Consumed Of Al 2024 For Powering Daily Used Electric Car, Yanuar Mohamad Marda, Rini Riastuti, Muhammad Hamka Ibrahim Aug 2024

Feasibility Study Of Using Energy Extracted From The Process Of Electrochemically Consumed Of Al 2024 For Powering Daily Used Electric Car, Yanuar Mohamad Marda, Rini Riastuti, Muhammad Hamka Ibrahim

Journal of Materials Exploration and Findings

Usage of green energy for transportation has become important due to the contribution of transportation activity to climate change. Electrochemical energy has been used as a source of green energy. The objective of this work is to evaluate sufficiency of energy provided by electrochemically consumed Al 2024 for supplying energy to daily used PHEV electric car. Study of previous articles, observation of typical amount of energy required, electrochemical galvanic cell experiments, and simple calculations have been conducted to determine produced energy feasibility. Electrical energy produced by consuming 340 gr of Al 2024 in galvanic cells has the total lifetime of …


Knowledge Management Of Historical Data: Ontology Development For Chemical Reactions, Quynh D. Tran, Alexander Harding Bradley, Balashanmuga Priyan Rajamohan, Jonathan E. Gordon, Van D. Tran, Kiefer Lin, Erika I. Barcelos, Laura S. Bruckman, Roger H. French Aug 2024

Knowledge Management Of Historical Data: Ontology Development For Chemical Reactions, Quynh D. Tran, Alexander Harding Bradley, Balashanmuga Priyan Rajamohan, Jonathan E. Gordon, Van D. Tran, Kiefer Lin, Erika I. Barcelos, Laura S. Bruckman, Roger H. French

Researchers, Instructors, & Staff Scholarship

Knowledge management of the literature and historical data is critical to accelerated drug and materials discovery. Currently, literature knowledge is scattered in journal articles in various formats: diagrams, texts, plots, etc. Historical data from past experiments are saved in a number of local computers under confusing folder structures with ambiguous file names. To manage and organize historical data and knowledge, our group (SDLE) at CWRU follows FAIR (Findable, Accessible, Interoperable, Reusable) principles, which outline the best practices for data stewardship and data provenance, and ontology, a formal representation of terms and concepts and their relationships, as a tool to improve …


Settingsorder Article Reprints Open Accessarticle A Model To Account For The Effects Of Load Ratio And Hydrogen Pressure On The Fatigue Crack Growth Behavior Of Pressure Vessel Steels, Ashok Saxena, Kip O. Findley Aug 2024

Settingsorder Article Reprints Open Accessarticle A Model To Account For The Effects Of Load Ratio And Hydrogen Pressure On The Fatigue Crack Growth Behavior Of Pressure Vessel Steels, Ashok Saxena, Kip O. Findley

Mechanical Engineering Faculty Publications and Presentations

A phenomenological model for estimating the effects of load ratio R and hydrogen pressure PH2 on the hydrogen-assisted fatigue crack growth rate (HA-FCGR) behavior in the transient and steady-state regimes of pressure vessel steels is described. The "transient regime" is identified with crack growth within a severely embrittled zone of intense plasticity at the crack tip. The "steady-state" behavior is associated with the crack growing into a region of comparatively lower hydrogen concentration located further away from the crack tip. The model treats the effects of R and PH2 as being functionally separable. In the transient …


Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du Aug 2024

Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du

Electrical Engineering and Computer Science Faculty Publications and Presentations

Sapphire has various applications in photonics due to its broadband transparency, high-contrast index, and chemical and physical stability. Photonics integration on the sapphire platform has been proposed, along with potentially high-performance lasers made of group III–V materials. In parallel with developing active devices for photonics integration applications, in this work, silicon nitride optical waveguides on a sapphire substrate were analyzed using the commercial software Comsol Multiphysics in a spectral window of 800~2400 nm, covering the operating wavelengths of III–V lasers, which could be monolithically or hybridly integrated on the same substrate. A high confinement factor of ~90% near the single-mode …


Performance And Enhanced Efficiency Induced By Cold Plasma On Sapo-34 Membranes For Co2 And Ch4 Mixtures, Fnu Gorky, Vashanti Storr, Grace Jones, Apolo Nambo, Jacek B. Jasinski, Maria L. Carreon Aug 2024

Performance And Enhanced Efficiency Induced By Cold Plasma On Sapo-34 Membranes For Co2 And Ch4 Mixtures, Fnu Gorky, Vashanti Storr, Grace Jones, Apolo Nambo, Jacek B. Jasinski, Maria L. Carreon

Chemical Engineering Faculty Publications and Presentations

In this study, we investigate the influence of cold-plasma-induced enhanced performance and efficiency of SAPO-34 membranes in the separation of CO2 and CH4 mixtures. Placing the herein presented research in a broader context, we aim to address the question of whether cold plasma can significantly impact the membrane performance. We subjected SAPO-34 membranes to plasma mild disturbances and analyzed their performance in separating CO2 and CH4. Our findings reveal a notable enhancement in membrane efficiency and sustained performance when exposed to cold plasma. The pulsed plasma separation displayed improved structural integrity, and the experimental results …


Understanding And Tuning Magnetism In Van Der Waals-Type Metal Thiophosphates, Rabindra Basnet, Jin Hu Aug 2024

Understanding And Tuning Magnetism In Van Der Waals-Type Metal Thiophosphates, Rabindra Basnet, Jin Hu

Physics Faculty Publications and Presentations

Over the past two decades, significant progress in two-dimensional (2D) materials has invigorated research in condensed matter and material physics in low dimensions. While traditionally studied in three-dimensional systems, magnetism has now been extended to the 2D realm. Recent breakthroughs in 2D magnetism have attracted substantial interest from the scientific community, owing to the stable magnetic order achievable in atomically thin layers of the van der Waals (vdW)-type layered magnetic materials. These advances offer an exciting platform for investigating related phenomena in low dimensions and hold promise for spintronic applications. Consequently, vdW magnetic materials with tunable magnetism have attracted significant …


Extraction Of Neutron-Gamma Irradiated Diffusion Pump Oils, Cooper L. Tillman Aug 2024

Extraction Of Neutron-Gamma Irradiated Diffusion Pump Oils, Cooper L. Tillman

All Theses

This work successfully demonstrates solvent extraction methods for separation of oil from the by-products when two commercially available vacuum pump oils were exposed to an intense neutron and gamma-ray radiation environment. Nuclear fusion power at a commercial scale has accelerated the need for radiation resistant vacuum technology, such as oil-based diffusion pumps. Polyphenyl ether and aromatic silicone oils were irradiated at the Rhode Island Nuclear Science Center (RINSC) up to MGy absorbed doses with neutron and gamma-ray radiation. Solvent extractions were performed using hexane and isopropanol to characterize the oil extraction as a function of total absorbed dose. The by-products …


Studies Of Exotic Electronic, Optical, And Electrochemical Properties In Nanoparticle Assembly And Graphene, Jay Min Lim Aug 2024

Studies Of Exotic Electronic, Optical, And Electrochemical Properties In Nanoparticle Assembly And Graphene, Jay Min Lim

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

It is well known that exotic properties and phenomena emerge as structural dimensions shrink to nanoscales. We self-assembled one-dimensional chains of gold nanoparticles in solution and quantified the growth process by monitoring the redshift of localized surface plasmon resonance (LSPR). Curiously, the redshift stopped while the chains continued to rearrange as manifested by gradual reduction in the LSPR peak. Using electromagnetic simulations, we quantitatively explained the phenomena as a rapid “addition-polymerization” followed by a sharp transition to “condensation-process.” Next, recognizing the significant electric field enhancement in the interparticle gap, a photoluminescent-active Eu3+ ion was used to probe Surface-Enhanced Photoluminescence …


Chemical Recycling Of Bio-Based Polyurethane Foams: Evaluating Bio-Based Glycols In Comparison To Petroleum-Based Glycols, Anirudh Thorbole Mr. Jul 2024

Chemical Recycling Of Bio-Based Polyurethane Foams: Evaluating Bio-Based Glycols In Comparison To Petroleum-Based Glycols, Anirudh Thorbole Mr.

Electronic Theses & Dissertations

The paradigm shift towards bio-based polyurethane foams (bio-PUF) has significantly increased post-consumer waste. To address this issue, this research represents a novel approach to enhance sustainable development in the recycling industry by replacing traditional petroleum-based glycols with sustainable bio-based alternatives. This study explores the glycolysis of bio-PUF using bio-based SG-522 glycol and polyethylene glycol (PEG) for comparison. The findings from this research as outlined, reveal no significant differences in depolymerization time between the two glycols, achieving proper depolymerization and high recovery yields of over 95% after solvent purification. Comprehensive FT-IR and NMR analyses confirmed the successful degradation of bio-PUF and …


Secondary Electron Yield Of Metals, Alloys, And Metal Oxides From First Principles Based Monte Carlo Simulations, Raul E. Gutierrez Jul 2024

Secondary Electron Yield Of Metals, Alloys, And Metal Oxides From First Principles Based Monte Carlo Simulations, Raul E. Gutierrez

Electrical and Computer Engineering ETDs

Density Functional Theory (DFT) based Monte Carlo (MC) simulations of the Sec-
ondary Electron Yield (SEY) of metals, alloys, and metal oxides are performed to
find material properties that could help reduce or influence the multipactor effect.
In order to accurately model the SEY of materials, knowledge of the frequency- and
momentum-dependent Energy Loss Function (qDepELF) is required. The qDepELF
is difficult to determine from experiment; however, it can be calculated from first
principles. The DFT-MC approach for simulating the secondary electron genera-
tion, propagation, and emission processes is described herein. Material properties,
which are calculated using DFT and used …


Series Reports From Professor Wei’S Group Of Chongqing University: Advancements In Electrochemical Energy Conversions (1/4): Report 1: High-Performance Oxygen Reduction Catalysts For Fuel Cells, Fa-Dong Chen, Zhuo-Yang Xie, Meng-Ting Li, Si-Guo Chen, Wei Ding, Li Li, Jing Li, Zi-Dong Wei Jul 2024

Series Reports From Professor Wei’S Group Of Chongqing University: Advancements In Electrochemical Energy Conversions (1/4): Report 1: High-Performance Oxygen Reduction Catalysts For Fuel Cells, Fa-Dong Chen, Zhuo-Yang Xie, Meng-Ting Li, Si-Guo Chen, Wei Ding, Li Li, Jing Li, Zi-Dong Wei

Journal of Electrochemistry

Two major challenges, high cost and short lifespan, have been hindering the commercialization process of low-temperature fuel cells. Professor Wei’s group has been focusing on decreasing cathode Pt loadings without losses of activity and durability, and their research advances in this area over the past three decades are briefly reviewed herein. Regarding the Pt-based catalysts and the low Pt usage, they have firstly tried to clarify the degradation mechanism of Pt/C catalysts, and then demonstrated that the activity and stability could be improved by three strategies: regulating the nanostructures of the active sites, enhancing the effects of support materials, and …