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Start Over Graduate Program Materials Science and Engineering Degree PHD Keyword Density functional theory

1. Quantum–Continuum Modeling of Electrodeposition

open_access
Open Access
Author:
Weitzner, Stephen E
Title:
Quantum–Continuum Modeling of Electrodeposition
Graduate Program:
Materials Science and Engineering
Keywords:
Electrochemistry
Density functional theory
DFT
Solvation
Quantum-Continuum
Interface
Electrodeposition
Underpotential deposition
Thermodynamics
Statistical Mechanics
Monte Carlo
Implicit solvent
Multiscale
Alloy
Electrode
Catalysis
Electrocatalysis
UPD
Cluster expansion
File:
Download Stephen_Weitzner_Dissertation_Final.pdf
Committee Members:
Ismaila Dabo, Dissertation Advisor/Co-Advisor
Kwadwo Osseo-Asare, Committee Chair/Co-Chair
Ralph Colby, Committee Member
Hojong Kim, Committee Member
Michael Janik, Outside Member

2. MULTISCALE MODELING OF LITHIUM METAL ANODE FOR NEXT-GENERATION BATTERY DESIGN

open_access
Open Access
Author:
Liu, Zhe
Title:
MULTISCALE MODELING OF LITHIUM METAL ANODE FOR NEXT-GENERATION BATTERY DESIGN
Graduate Program:
Materials Science and Engineering
Keywords:
Lithium ion battery
Lithium metal anode
Dendrite growth
Phase-field modeling
Electrodeposition
Density functional theory
File:
Download Zhe_Liu_PhD_Dissertation_Final.pdf
Committee Members:
Long-Qing Chen, Dissertation Advisor/Co-Advisor
Long-Qing Chen, Committee Chair/Co-Chair
Chao-Yang Wang, Committee Member
Ismaila Dabo, Committee Member
Adrianus C Van Duin, Outside Member
John C Mauro, Program Head/Chair