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Author:

Campbell, Quinn Thomas

Title:

Semiconductor-Solution Interfaces From First Principles

Graduate Program:

Materials Science and Engineering

Keywords:

first principles
semiconductor interfaces
water splitting
high throughput
computational
silicon

File:

Download QuinnCampbell-Dissertation.pdf

Committee Members:

Ismaila Dabo, Dissertation Advisor/Co-Advisor
Ismaila Dabo, Committee Chair/Co-Chair
Susan B Sinnott, Committee Member
Michael John Janik, Committee Member
Adri van Duin, Outside Member

Author:

Munro, Jason

Title:

Discovering Minimum Energy Pathways via Distortion Symmetry Groups

Graduate Program:

Materials Science and Engineering

Keywords:

Symmetry
Minimum Energy Pathways
Nudged Elastic Band
Density Functional Theory
Ferroelectric Switching

File:

Download JasonMunroDissertation.pdf

Committee Members:

Ismaila Dabo, Dissertation Advisor/Co-Advisor
Ismaila Dabo, Committee Chair/Co-Chair
Venkatraman Gopalan, Committee Member
Long-Qing Chen, Committee Member
Gerald Knizia, Outside Member

Author:

Kim, Hongyeun

Title:

THERMODYNAMIC MODELING AND MECHANICAL PROPERTIES MODELING OF LONG PERIODIC STACKING ORDERED (LPSO) PHASES

Graduate Program:

Materials Science and Engineering

Keywords:

LPSO
Hardness model
Hall-Petch

File:

Download Hongyeun-Thesis-V11.pdf

Committee Members:

Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Hojong Kim, Committee Member
Adrianus C Van Duin, Outside Member

Author:

Keilbart, Nathan Daniel

Title:

Understanding the pseudocapacitive response of transition metal oxide and carbide electrodes

Graduate Program:

Materials Science and Engineering

Keywords:

Pseudocapacitor
DFT
Monte Carlo
First-principles
Energy Storage

File:

Download NathanKeilbart-Dissertation.pdf

Committee Members:

Ismaila Dabo, Dissertation Advisor/Co-Advisor
Clive A Randall, Committee Chair/Co-Chair
Susan B Sinnott, Committee Member
Ramakrishnan Rajagopalan, Committee Member
Kwadwo Asare Osseo-Asare, Outside Member

Author:

Lichtenstein, Timothy Thomas

Title:

FUNDAMENTALS AND APPLICATIONS OF LIQUID METALS TOWARDS ELECTROCHEMICAL SEPARATIONS

Graduate Program:

Materials Science and Engineering

Keywords:

Electrorefining
Thermodynamics
barium-alloys
electromotive force
Electrochemical separation
Phase diagram

File:

Download Thesis_TimothyLichtenstein_Final.pdf

Committee Members:

Hojong Kim, Dissertation Advisor/Co-Advisor
Hojong Kim, Committee Chair/Co-Chair
Zi-Kui Liu, Committee Member
Ismaila Dabo, Committee Member
Thomas Mallouk, Outside Member
John C Mauro, Program Head/Chair
James L. Willit, Special Member

Author:

Liu, Zhe

Title:

MULTISCALE MODELING OF LITHIUM METAL ANODE FOR NEXT-GENERATION BATTERY DESIGN

Graduate Program:

Materials Science and Engineering

Keywords:

Lithium ion battery
Lithium metal anode
Dendrite growth
Phase-field modeling
Electrodeposition
Density functional theory

File:

Download Zhe_Liu_PhD_Dissertation_Final.pdf

Committee Members:

Long-Qing Chen, Dissertation Advisor/Co-Advisor
Long-Qing Chen, Committee Chair/Co-Chair
Chao-Yang Wang, Committee Member
Ismaila Dabo, Committee Member
Adrianus C Van Duin, Outside Member
John C Mauro, Program Head/Chair

Author:

Feurer, Matthew

Title:

UPDATED SUBLATTICE MODELS OF TOPOLOGICALLY CLOSE PACKED PHASES WITH A REVISED PHASE DESCRIPTION OF σ PHASE

Graduate Program:

Materials Science and Engineering

Keywords:

CALPHAD
First Principles
Topologically close packed phases
TCP phases
Sigma phase

File:

Download Thesis-v9.pdf

Committee Members:

Zi-Kui Liu, Thesis Advisor/Co-Advisor
Ismaila Dabo, Committee Member
Allison Michelle Beese, Thesis Advisor/Co-Advisor
Susan B Sinnott, Program Head/Chair