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Author:

Hall, Nicole

Title:

Discovering Photocatalytic Materials From First Principles

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Density-functional theory
Photocatalyst
DFT+U

File:

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Committee Members:

John Mauro, Program Head/Chair
Raymond Schaak, Outside Unit & Field Member
Wesley Reinhart, Major Field Member
Susan Sinnott, Major Field Member
Ismaila Dabo, Chair & Dissertation Advisor

Author:

Wang, Huaiyu

Title:

Phonons at Phase Boundaries in Electronic and Structural Transitions

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Structural perturbation
Phonons
Ultrafast
X-ray Diffraction
Raman spectroscopy
Quantum Materials
Ferroelectric Nanotextures
Phase Transition

File:

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Committee Members:

Venkatraman Gopalan, Chair & Dissertation Advisor
Zhiqiang Mao, Outside Unit & Field Member
Ismaila Dabo, Major Field Member
Long-Qing Chen, Major Field Member
John Mauro, Program Head/Chair
Haidan Wen, Special Member

Author:

Slapikas, Robert

Title:

Atomistic Simulations: Atomistic level investigation of the dissolution, precipitation, and surface diffusion dynamics at the aqueous metal interface for renewable energy applications and the oxidation of silicon carbide for aero-propulsion

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Molecular Dnamics
Pt
Platinum nanoparticles
ultra-high temperature ceramics

File:

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Committee Members:

Kristen Fichthorn, Outside Unit & Field Member
Ismaila Dabo, Major Field Member
Wesley Reinhart, Major Field Member
Susan Sinnott, Co-Chair & Dissertation Advisor
Douglas Wolfe, Co-Chair & Dissertation Advisor
Zuleima T Karpyn, Special Signatory

Author:

Kuznetsova, Tatiana

Title:

Enhancing properties of perovskite ferroelectrics and correlated metals via precise stoichiometry control

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Molecular beam epitaxy
Complex oxides
Transparent conductors
Thin films

File:

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Committee Members:

John Mauro, Program Head/Chair
Venkatraman Gopalan, Major Field Member
Jon-Paul Maria, Chair & Dissertation Advisor
Qi Li, Outside Unit & Field Member
Roman Engel-Herbert, Special Member
Ismaila Dabo, Major Field Member

Author:

Dai, Cheng

Title:

PHASE-FIELD SIMULATIONS OF CONTROLLING AND DESIGNING FERROELECTRIC TOPOLOGICAL STRUCTURES AND HIDDEN PHASES IN SUPERLATTICE SYSTEMS

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Topological phase
Hidden phase
Superlattice
Design strategy
Control

File:

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Committee Members:

Venkatraman Gopalan, Major Field Member
Sulin Zhang, Outside Unit & Field Member
Ismaila Dabo, Major Field Member
Long-Qing Chen, Chair & Dissertation Advisor
John Mauro, Program Head/Chair

Author:

Miao, Leixin

Title:

Analytical Transmission Electron Microscopy for Nanostructure Interpretation in High-Entropy Oxides and Beyond

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Transmission Electron Mircoscopy
High Entropy Oxides
Ferroelectric
Domain Structure
Nanostructure
Image Processing
Ferrovalley Materials
Hybrid Improper Ferroelectric

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Committee Members:

John Mauro, Program Head/Chair
Nasim Alem, Chair & Dissertation Advisor
Jon-Paul Maria, Major Field Member
Zhiqiang Mao, Outside Unit & Field Member
Ismaila Dabo, Major Field Member

Author:

Hou, Yuchen

Title:

Novel Bio-inspired Halide Perovskite Optoelectronics

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Halide perovskite
Photovoltaic
Optoelectronic system
Biomolecular engineering
Bio-inspiration

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Committee Members:

John Mauro, Program Head/Chair
Venkatraman Gopalan, Major Field Member
Shashank Priya, Chair & Dissertation Advisor
Noel Giebink, Outside Unit & Field Member
Ismaila Dabo, Major Field Member

Author:

Zorn, Jacob

Title:

Ferroelectric Materials by Design at the Mesoscale: Thermodynamic and Phase-Field Modeling

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

phase-field
thermodynamic
ferroelectric
landau theory
TDGL
Cahn-Hilliard
Allen-Cahn

File:

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Committee Members:

John Mauro, Program Head/Chair
Venkatraman Gopalan, Major Field Member
Ismaila Dabo, Major Field Member
Jinchao Xu, Outside Unit & Field Member
Long-Qing Chen, Chair & Dissertation Advisor
Roman Engel-Herbert, Major Field Member

Author:

Min, Lujin

Title:

Studies on Quantum Transport and Magnetic Properties of Novel Materials

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Quantum transport
Magnetism
Nonlinear Hall effect
High entropy material

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Committee Members:

Chaoxing Liu, Outside Field Member
John Mauro, Program Head/Chair
Venkatraman Gopalan, Dissertation Co-Advisor
Zhiqiang Mao, Chair & Co-Dissertation Advisr
Morteza Kayyalha, Outside Unit & Field Member
Ismaila Dabo, Major Field Member

Author:

Wang, Yuxiang

Title:

COMPUTATIONAL INVESTIGATION OF THE INTERACTION OF MULTI-FUNCTIONALIZED POROUS AROMATIC FRAMEWORKS WITH PURE SO2 AND GAS MIXTURES

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

Functionalized Porous Aromatic Frameworks
Acid Gas Adsorption
Grand Canonical Monte Carlo Simmulations

File:

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Committee Members:

Susan Sinnott, Chair & Dissertation Advisor
Ismaila Dabo, Major Field Member
Lauren Zarzar, Outside Field Member
Adri van Duin, Outside Unit & Field Member
John Mauro, Program Head/Chair