Chemistry Commons^™

Thermocatalytic Plasma-Assisted Dry Reforming Of Methane Over Ni/Al2o3 Catalyst, Tyler Wong

Seton Hall University Dissertations and Theses (ETDs)

Plasma catalysis is an advantageous approach that combines the effects of plasma with the enhancements of a catalyst. By utilizing a nickel catalyst in the plasma discharge zone of a dielectric barrier discharge (DBD), it can give an enhancement to the electrical field, boost microdischarges, and increase conversion and selectivity rates of CH₄ and CO₂ in the dry reforming of methane (DRM) reaction.

Industrial application of nickel catalysts in DBD Plasma DRM process are limited by poor stability, which is caused by the sintering of active metal particles and coke deposition on the catalyst surface. In this work, …

Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath

LSU Doctoral Dissertations

The mechanisms of ambient-temperature reactions of heteroatomic compounds catalyzed by ceria (CeO₂), an archetypical reducible oxide, for enzyme mimetics, environmental protection, and chemical synthesis are investigated in this dissertation using theoretical methods. CeO₂ is modeled with thermodynamically stable low-index surfaces exposed by commonly studied ceria thin films and nano particles. To understand phosphatase-like dephosphorylation activity, stable adsorption states and surface reactions of model phosphates are examined. Binding of the central P-atom to surface lattice oxygen (O_latt) supplemented by phosphoryl O-Ce interaction is the only stable adsorption state for the un-dissociated molecule. Deprotonation of phosphate monoesters, …

Heterogenous Reduction Of Co2 Over Boron-Rich Alb2, Jose C. Berger

Honors Undergraduate Theses

Evidence suggests that the recent drastic changes in the global climate have been caused by greenhouse gases, especially CO­₂. As a result, scientists are aiming to develop processes that either minimize the production of these gases or convert them into products of higher value. To that end, the catalytic properties of a two-dimensional boron-rich material were investigated. Herein is reported that such a material can reduce CO₂ into benzene, C₃ species, and C₄ species at relatively low temperatures (225-450 ℃) and pressures (0.38 MPa). Current data suggest that a low-temperature induction period (e.g., 225 ℃) …

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 …