Search

Author:

Yeon, Jejoon

Title:

Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.

Graduate Program:

Mechanical Engineering

Keywords:

friction
tribology
tribochemistry
computational chemistry
reactive molecular dynamics
ReaxFF
MD

File:

Download 20160202_JejoonYeon_PhD_Dissertation_final.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Md Amanul Haque, Committee Member
Liming Chang, Committee Member
Seong Han Kim, Committee Member
James David Kubicki, Special Member

Author:

Boettger, Jason Daniel

Title:

CO2 Hydration and Hydroxylation: The Origin of Carbonate Kinetic Isotope Effects

Graduate Program:

Geosciences

Keywords:

isotopes
computational chemistry
isotope fractionation
carbonate
coral

File:

Download Boettger_Full_Dissertation_Final.pdf

Committee Members:

Susan Louise Brantley, Dissertation Advisor/Co-Advisor
Susan Louise Brantley, Committee Chair/Co-Chair
Matthew S Fantle, Committee Member
Katherine Haines Freeman, Committee Member
Lasse Jensen, Outside Member

Author:

Wong, Andrew

Title:

Electrocatalysis at the atomic scale: Complexities at the electrode-electrolyte interface

Graduate Program:

Chemical Engineering

Keywords:

DFT
electrocatalysis
heterogeneous catalysis
computational chemistry
electrochemistry
surface science
interfaces
chemical engineering
cations
CO2 reduction
wastewater remediation

File:

Login to Download

Committee Members:

Robert Rioux, Professor in Charge/Director of Graduate Studies
Robert Rioux, Major Field Member
Robert Rioux, Special Member
Ismaila Dabo, Outside Unit & Minor Member
Raymond Schaak, Outside Field Member
Michael Janik, Chair & Dissertation Advisor