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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

Author:

Xu, Enshi

Title:

COMPUTATIONAL STUDY OF CARBON NANOMATERIALS: NANOTHREADS AND NANOPOROUS CARBON

Graduate Program:

Physics

Keywords:

Nanothread
Density Functional Theory
Carbon Nano-materials
Schwarzites
Raman Spectroscopy

File:

Download Dissertation_Enshi_July8.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Mauricio Terrones Maldonado, Committee Member
Jorge Osvaldo Sofo, Committee Member
John V. Badding, Outside Member

Author:

Wang, Yuanxi

Title:

Theory of two-dimensional materials: synthesis, properties, and structural engineering

Graduate Program:

Physics

Keywords:

two-dimensional materials
density functional theory

File:

Download main.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Vincent Henry Crespi, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Mauricio Terrones Maldonado, Committee Member
Thomas E Mallouk, Outside Member