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Full-Text Articles in Physical Sciences and Mathematics

Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin May 2021

Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin

Arts & Sciences Electronic Theses and Dissertations

The discovery of bronze as an alloy of copper and tin is arguably the earliest form of material design, dating back thousands of years. In contrast, two-dimensional materials are new to the 21st century. The research presented in this dissertation is at the intersection of alloying and two-dimensional materials. I specifically study a class of two-dimensional materials known as transition metal dichalcogenides (TMDCs). Because of the large number of transition metals, there are many combinations of TMDCs that can be alloyed, making experimental exploration of the phase space of possible alloys unwieldly. Instead, I have applied first-principles methods to study …


Degradation Of Antibiotics In Aqueous Phase Using Pms Catalytic Decomposition With Zero-Valent Iron Nanoparticles Immobilized In Sba-15, Ahdee Bluma Zeidman May 2021

Degradation Of Antibiotics In Aqueous Phase Using Pms Catalytic Decomposition With Zero-Valent Iron Nanoparticles Immobilized In Sba-15, Ahdee Bluma Zeidman

UNLV Theses, Dissertations, Professional Papers, and Capstones

Zero-valent iron nanoparticles (nZVI) have been studied as an option for soil remediation and water treatment for many years. The capability of nZVI to produce oxidation/reduction processes, depending on the reaction conditions, has attracted great interest with their major drawback being reactivity loss through agglomeration. The loss in nZVI surface area has been reported to be prevented through immobilization onto a porous media (e.g., SBA-15, MCM-41, or zeolites). In this work, a mesoporous silica structure (SBA-15) is used as an nZVI supporting material to enhance its reactivity and promote peroxymonosulfate (PMS) catalytic decomposition for the degradation of antibiotics in aqueous …


Alternative View Of Oxygen Reduction On Porous Carbon Electrocatalysts: The Substance Of Complex Oxygen-Surface Interactions, Giacomo De Falco, Marc Florent, Jacek Jagiello, Yongqiang Cheng, Luke L. Daemen, Anibal J. Ramirez-Cuesta, Teresa J. Bandosz Mar 2021

Alternative View Of Oxygen Reduction On Porous Carbon Electrocatalysts: The Substance Of Complex Oxygen-Surface Interactions, Giacomo De Falco, Marc Florent, Jacek Jagiello, Yongqiang Cheng, Luke L. Daemen, Anibal J. Ramirez-Cuesta, Teresa J. Bandosz

Publications and Research

Electrochemical oxygen reduction reaction (ORR) is an important energy-related process requiring alternative catalysts to expensive platinum-based ones. Although recently some advancements in carbon catalysts have been reported, there is still a lack of understanding which surface features might enhance their efficiency for ORR. Through a detailed study of oxygen adsorption on carbon molecular sieves and using inelastic neutron scattering, we demonstrated here that the extent of oxygen adsorption/interactions with surface is an important parameter affecting ORR. It was found that both the strength of O2 physical adsorption in small pores and its specific interactions with surface ether functionalities in the …


Synthesis And Catalytic Properties Of Metal-Organic Frameworks Mimicking Carbonic Anhydrase, Longji Li Jan 2021

Synthesis And Catalytic Properties Of Metal-Organic Frameworks Mimicking Carbonic Anhydrase, Longji Li

Mahurin Honors College Capstone Experience/Thesis Projects

The natural enzyme carbonic anhydrase has gained attention in recent years for its ability to catalyze the interconversion of aqueous carbon dioxide (CO2) and bicarbonate. However, it lacks the efficiency to qualify practical usage on a large scale due to its inherent deficiency and fragile nature. On the other hand, its active center can be used as an ideal model for the design of novel catalytic materials targeting carbon dioxide capture and sequestration. This study focused on the synthesis of a zinc-based metal-organic framework (Zn-MOF-1) mimicking the carbonic anhydrase using the solvothermal method. Important properties such as catalytic …