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Open Access

Author:: Held, Jacob T
Title:: Mechanistic Analysis of the Selective Hydrogenation of Acetylene Over NiZn Surface
Area of Honors:: Chemical Engineering
Keywords:: DFT
catalysis
NiZn
Hydrogenation
ethylene
polyethylene
acetylene
File:: Download Held_Jacob_SelectiveHydrogenationofAcetylene.pdf
Thesis Supervisors:: Dr. Michael John Janik, Thesis Supervisor
Dr. Michael John Janik, Thesis Honors Advisor
Robert Martin Rioux Jr., Faculty Reader

Open Access

Author:: Esopi, Monica Roberta
Title:: ELECTROCATALYST POTENTIAL DEPENDENT ACTIVATION BARRIERS APPROXIMATED WITH DENSITY FUNCTIONAL THEORY
Area of Honors:: Chemical Engineering
Keywords:: DFT
electrocatalysis
CO2 reduction
electron transfer
File:: Download Final_Thesis_Draft.pdf
Thesis Supervisors:: Dr. Michael John Janik, Thesis Supervisor
Dr. Wayne Roger Curtis, Thesis Honors Advisor

Open Access

Author:: O'Connor, Nolan J
Title:: Trends in single transition metal atom/oxide support interactions from density functional theory
Area of Honors:: Chemical Engineering
Keywords:: DFT
Metal Oxide
Single atom catalyst
catalysis
File:: Download Thesis_final_O_Connor.pdf
Thesis Supervisors:: Dr. Michael John Janik, Thesis Supervisor
Dr. Michael John Janik, Thesis Honors Advisor
Robert Martin Rioux Jr., Faculty Reader

Open Access

Author:: Maximuck, James Michael
Title:: Methanol Oxidation over Palladium and Silver Catalysts
Area of Honors:: Chemical Engineering
Keywords:: Methanol
Palladium
Silver
Catalysis
DFT
File:: Download Thesis.pdf
Thesis Supervisors:: Dr. Michael John Janik, Thesis Supervisor
Dr. Michael John Janik, Thesis Honors Advisor
Dr. Themis Matsoukas, Faculty Reader

Open Access

Author:: Egan, Nicholas Joseph
Title:: An Exploration of Nitrogen Adsorption and Subsequent Reduction on Nickel-Hydroxide Catalysts Using Density Functional Theory
Area of Honors:: Chemical Engineering
Keywords:: DFT
Catalysis
Nickel
Ammonia
Nitrogen
Reactions
Energy
Electrochemistry
File:: Download Nicholas_Egan_final.pdf
Thesis Supervisors:: Dr. Michael John Janik, Thesis Supervisor
Dr. Enrique Daniel Gomez, Thesis Honors Advisor

Open Access

Author:: Wallace, Spencer
Title:: AMMONIA ELECTRO-OXIDATION MECHANSIM ON THE PLATINUM (100) SURFACE
Area of Honors:: Chemical Engineering
Keywords:: Catalysis
electrochemistry
ammonia oxidation
platinum
DFT
computational chemistry
VASP
File:: Download Spencer_Wallace_Final_Thesis.pdf
Thesis Supervisors:: Dr. Michael John Janik, Thesis Supervisor
Dr. Michael John Janik, Thesis Honors Advisor
Xueyi Zhang, Faculty Reader

Open Access

Author:: Ingalls, Megan
Title:: Investigating the Surface Chemistry of Hydrogenation Reactions on Supported Metal Catalysts
Area of Honors:: Chemical Engineering
Keywords:: Self-Assembled Monolayer
Single Atom Catalyst
Hydrogenation
Catalysis
DFT
File:: Download INGALLS_MEGAN_AN_EXPERIMENTAL_AND_COMPUTATIONAL_STUDY_OF_HYDROGENATION.pdf
Thesis Supervisors:: Dr. Michael John Janik, Thesis Supervisor
Darrell Velegol, Faculty Reader
Dr. Michael John Janik, Thesis Honors Advisor

Open Access

Author:: Rys, Ethan
Title:: First Principles Kinetic Modeling and Reactor Simulations for the Efficient Utilization of Stranded Methane Resources
Area of Honors:: Chemical Engineering
Keywords:: platinum
DFT
computational chemistry
VASP
non-oxidative methane coupling
catalysis
File:: Download Rys_Thesis.pdf
Thesis Supervisors:: Konstantinos Alexopoulos, Thesis Supervisor
Themis Matsoukas, Thesis Honors Advisor

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