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Author:

Saal, James Edward

Title:

Thermodynamic Modeling of Phase Transformations and Defects: from Cobalt to Doped Cobaltate Perovskites

Graduate Program:

Materials Science and Engineering

Keywords:

ceramics
thermodynamic modeling
defect chemistry
perovskites
CALPHAD
density functional theory

File:

Download Saal-Dissertation.pdf

Committee Members:

Zi-Kui Liu, Committee Chair/Co-Chair
Long-Qing Chen, Committee Member
Clive Randall, Committee Member
Jorge Sofo, Committee Member
Michael Carolan, Committee Member

Author:

Dellostritto, Mark Joseph

Title:

MODELLING THE STRUCTURE AND DYNAMICS OF H-BOND NETWORKS AT OXIDE-WATER INTERFACES: FROM NEUTRON SPECTROSCOPY TO SUM FREQUENCY GENERATION

Graduate Program:

Physics

Keywords:

water
oxide
molecular dynamics
sum frequency generation
hydrogen bond
network
neutron
polarizability
density functional theory

File:

Download Thesis_mjd1056_Final.pdf

Committee Members:

Jorge Sofo, Dissertation Advisor/Co-Advisor
Jorge Sofo, Committee Chair/Co-Chair
Milton Cole, Committee Member
Mauricio Terrones, Committee Member
Lasse Jensen, Outside Member

Author:

Zheng, Boyang

Title:

Theory of Two-Dimensional Materials: Substitutional Doping, Magnetism and Photoemission

Graduate Program:

Physics (PHD)

Keywords:

2D materials
density functional theory

File:

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Committee Members:

Chaoxing Liu, Major Field Member
Joan Redwing, Outside Unit & Field Member
Jorge Sofo, Major Field Member
Vincent Crespi, Chair & Dissertation Advisor
Nitin Samarth, Program Head/Chair

Author:

Chen, Zihao

Title:

Computational Investigations into the Shape-Controlled Syntheses of Copper and Silver Nanocrystals

Graduate Program:

Chemical Engineering (PHD)

Keywords:

density functional theory
interfacial phenomena
nanocrystal growth
halides
capping agents

File:

Download thesis-Zihao-Chen.pdf

Committee Members:

Seong Kim, Major Field Member
Jorge Sofo, Outside Unit & Field Member
Michael Janik, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Kristen Fichthorn, Chair, Minor Member & Dissertation Advisor