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Author:

Xiong, Yihuang

Title:

First-principles design of metal oxides for renewable energy applications

Graduate Program:

Materials Science and Engineering

Keywords:

Density functional theory
Photocatalyst
Hydrogen

File:

Download FIRST_PRINCIPLES_DESIGN_OF_METAL_OXIDES_FOR_RENEWABLE_ENERGY_APPLICATIONS.pdf

Committee Members:

Venkatraman Gopalan, Major Field Member
Ismaila Dabo, Chair & Dissertation Advisor
Raymond Schaak, Outside Unit & Field Member
Michael Janik, Outside Field Member
John Mauro, Program Head/Chair

Author:

Hall, Nicole

Title:

Discovering Photocatalytic Materials From First Principles

Graduate Program:

Materials Science and Engineering

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