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Start Over Committee Member Kristen Ann Fichthorn Keyword DFT

1. 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

2. Development of a knowledge base of Ti-alloys from first-principles and thermodynamic modeling

open_access
Open Access
Author:
Marker, Cassie Lou
Title:
Development of a knowledge base of Ti-alloys from first-principles and thermodynamic modeling
Graduate Program:
Materials Science and Engineering
Keywords:
Titanium
CALPHAD
DFT
Biomaterials
first-principles
thermodynamics
mechanical properties
File:
Download Cassie_Marker-Dissertation_final.pdf
Committee Members:
Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Allison Michelle Beese, Committee Member
Susan B Sinnott, Committee Member
Kristen Ann Fichthorn, Outside Member
Michael Manley, Special Member