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

open_access
Open Access
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
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

2. Comparative Studies of α- & δ- Plutonium Allotropes & Plutonium Oxidation Mechanisms by Photoemission Spectroscopy

open_access
Open Access
Author:
White, Keith
Title:
Comparative Studies of α- & δ- Plutonium Allotropes & Plutonium Oxidation Mechanisms by Photoemission Spectroscopy
Graduate Program:
Materials Science and Engineering
Keywords:
XPS
photoemission
surface science
plutonium
surface
X-ray photoelectron spectroscopy
Auger
f-electron
actinide
oxide
Committee Members:
Patrick M Lenahan, Thesis Advisor/Co-Advisor
Roman Engel-Herbert, Committee Member
Amanda M. Johnsen, Committee Member
John C Mauro, Program Head/Chair

3. Multiscale Modeling of Materials for Clean Energy Storage and Conversion

open_access
Open Access
Author:
Goff, James
Title:
Multiscale Modeling of Materials for Clean Energy Storage and Conversion
Graduate Program:
Materials Science and Engineering
Keywords:
computational
electrochemistry
materials science
energy
atomistic simulation
cluster expansion
density functional theory
molecular dynamics
Monte Carlo
alloy
catalyst
battery
surface science
Committee Members:
Kristen Fichthorn, Minor Field Member
Susan Sinnott, Co-Chair & Dissertation Advisor
John Mauro, Major Field Member
Ismaila Dabo, Co-Chair & Dissertation Advisor
Michael Janik, Outside Unit & Field Member
John Mauro, Program Head/Chair

4. A surface science perspective of the usable strength of glass

open_access
Open Access
Author:
Sheth, Nisha Sanjay
Title:
A surface science perspective of the usable strength of glass
Graduate Program:
Materials Science and Engineering
Keywords:
glass
surface science
surface characterization
mechanical properties of materials
Committee Members:
Seong Han Kim, Dissertation Advisor/Co-Advisor
Seong Han Kim, Committee Chair/Co-Chair
Carlo G. Pantano, Committee Member
John C Mauro, Committee Member
Adrianus C Van Duin, Outside Member

5. FUNDAMENTAL STUDIES OF MOLECULAR SECONDARY ION MASS SPECTROMETRY IONIZATION PROBABILITY MEASURED WITH FEMTOSECOND, INFRARED LASER POST-IONIZATION

open_access
Open Access
Author:
Popczun, Nicholas James
Title:
FUNDAMENTAL STUDIES OF MOLECULAR SECONDARY ION MASS SPECTROMETRY IONIZATION PROBABILITY MEASURED WITH FEMTOSECOND, INFRARED LASER POST-IONIZATION
Graduate Program:
Chemistry
Keywords:
secondary ion mass spectrometry
secondary neutral mass spectrometry
mass spectrometry
time-of-flight
ionization
laser post-ionization
femtosecond
organic
surface science
ionization probability
Committee Members:
Nicholas Winograd, Dissertation Advisor/Co-Advisor
Nicholas Winograd, Committee Chair/Co-Chair
Barbara Jane Garrison, Committee Member
Philip C. Bevilacqua, Committee Member
Themis Matsoukas, Outside Member

7. Theory and Simulation of Atomic Hydrogen, Fluorine, and Oxygen on Graphene

open_access
Open Access
Author:
Suarez, Alejandro M
Title:
Theory and Simulation of Atomic Hydrogen, Fluorine, and Oxygen on Graphene
Graduate Program:
Physics
Keywords:
graphene
adsorption
surface science
density functional theory
DFT
graphane
fluorographene
graphene oxide
Committee Members:
Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Jun Zhu, Committee Member
Milton Walter Cole, Committee Member
Srinivas A Tadigadapa, Committee Member

8. Thermodynamics and structure of fluids physisorbed on nanotubes

open_access
Open Access
Author:
Urban, Nathan Mark
Title:
Thermodynamics and structure of fluids physisorbed on nanotubes
Graduate Program:
Physics
Keywords:
semiclassical
heat capacity
low dimensional physics
restricted geometries
cylindrical geometry
nanotube bundle
thin film
nanopore
nanotube
Monte Carlo
condensed matter physics
thermodynamics
quantum mechanics
statistical mechanics
physisorption
simulation
computational physics
surface physics
surface science
surface adsorption
effective potential
Bose gas
quantum gas
quantum fluid
quantum solid
argon
hydrogen
carbon
magnesium oxide
Committee Members:
Milton Walter Cole, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Jayanth R Banavar, Committee Member
Vincent Henry Crespi, Committee Member