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Start Over Area of Honors Materials Science and Engineering Thesis Supervisor Ismaila Dabo

1. A first-principles study of graphene and its derivatives as supercapacitor electrodes

open_access
Open Access
Author:
Chichester-constable, Alexander James
Title:
A first-principles study of graphene and its derivatives as supercapacitor electrodes
Area of Honors:
Materials Science and Engineering
Keywords:
density functional theory
DFT
SCCS
self-consistent continuum solvation model
implicit solvation
supercapacitor
graphene
File:
Download Alex_Constable_Senior_Thesis.pdf
Thesis Supervisors:
Ismaila Dabo, Thesis Supervisor
Dr. Robert Allen Kimel, Thesis Honors Advisor

2. A Large-Scale Electrochemical Study of Lithium Cobalt Oxide Cathodes based on Hubbard-Corrected Density-Functional Theory and Statistical Mechanics

open_access
Open Access
Author:
Zhao, Xinye
Title:
A Large-Scale Electrochemical Study of Lithium Cobalt Oxide Cathodes based on Hubbard-Corrected Density-Functional Theory and Statistical Mechanics
Area of Honors:
Materials Science and Engineering
Keywords:
density-functional theory
computational materials science and engineering
lithium-ion batteries
electrochemistry
cluster expansions
Monte-Carlo simulations
File:
Download Zhao_Xinye_Thesis__Final_.pdf
Thesis Supervisors:
Ismaila Dabo, Thesis Supervisor
Robert Allen Kimel, Thesis Honors Advisor

4. First-Principles Study of Photocatalytic Semiconductors using Hubbard Corrected Density-Functional Theory for Hydrogen Production

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Restricted (Penn State Only)
Author:
Zhao, Wayne
Title:
First-Principles Study of Photocatalytic Semiconductors using Hubbard Corrected Density-Functional Theory for Hydrogen Production
Area of Honors:
Materials Science and Engineering
Keywords:
Photocatalysis
Electrochemistry
Materials Science
Density-functional theory
Water-splitting
Renewable energy
Hydrogen
File:
Login to Download
Thesis Supervisors:
Ismaila Dabo, Thesis Supervisor
Robert Allen Kimel, Thesis Honors Advisor