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Author:

Mccrum, Ian Taylor

Title:

Understanding the effects of electrolyte pH and spectator ions on electrocatalysis

Graduate Program:

Chemical Engineering

Keywords:

electrocatalysis
density functional theory
hydrogen oxidation
alkaline fuel cells
specific adsorption
ion effects

File:

Download ITMcCrum_Dissertation_Final.pdf

Committee Members:

Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Michael Anthony Hickner, Committee Member
Robert Martin Rioux Jr., Committee Member
Chao-Yang Wang, Outside Member

Author:

Liu, Shih Hsien

Title:

Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics

Graduate Program:

Chemical Engineering

Keywords:

hexadecylamine
copper
nanostructure
force field
molecular dynamics
hexadecylamine
copper
nanostructure
density-functional theory
force field
molecular dynamics
polyvinylpyrrolidone
gold
reconstruction

File:

Download Shih-Hsien_Liu_Dissertation.pdf

Committee Members:

Kristen Ann Fichthorn, Dissertation Advisor/Co-Advisor
Kristen Ann Fichthorn, Committee Chair/Co-Chair
Michael John Janik, Committee Member
Robert Martin Rioux Jr., Committee Member
Raymond Edward Schaak, Outside Member

Author:

Kumar, Gaurav

Title:

Computational Rational Design of High-performance Multi-component Catalysts

Graduate Program:

Chemical Engineering

Keywords:

heterogeneous catalysis
bifunctionality
metal-oxide
metal support interaction
self-assembled monolayers
volcano limitation

File:

Download Dissertation_Gaurav_Kumar_Dec17.pdf

Committee Members:

Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
Robert Martin Rioux Jr., Committee Member
Adrianus C Van Duin, Outside Member
J. Will Medlin, Special Member