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Start Over Degree PHD Committee Member Jorge Osvaldo Sofo Keyword DFT

2. 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
File:
Download AMSuarez_Thesis_2012_v22_FINAL.pdf
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

3. A computational study of the effects of alloying elements on the thermodynamic and diffusion properties of Mg alloys

open_access
Open Access
Author:
Zhou, Bicheng
Title:
A computational study of the effects of alloying elements on the thermodynamic and diffusion properties of Mg alloys
Graduate Program:
Materials Science and Engineering
Keywords:
Mg alloys
thermodynamics
diffusion
thermodynamic modeling
CALPHAD
first-principles calculations
DFT
kinetics
File:
Download Bi-Cheng_Zhou-Dissertation.pdf
Committee Members:
Zi Kui Liu, Dissertation Advisor/Co-Advisor
Zi Kui Liu, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Jorge Osvaldo Sofo, Committee Member
Tarasankar Debroy, Committee Member

4. Direct fluorination of graphene: A theoretical and computational study of its formation and of the resulting magnetic and electronic properties

open_access
Open Access
Author:
Aditya, Piali Mitil
Title:
Direct fluorination of graphene: A theoretical and computational study of its formation and of the resulting magnetic and electronic properties
Graduate Program:
Physics
Keywords:
graphene
fluorine
DFT
spin
magnetic moment
adatom
adsorption
File:
Download PialiMAditya-Dissertation.pdf
Committee Members:
Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
Renee Denise Diehl, Committee Member
Mauricio Terrones Maldonado, Committee Member