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Start Over Graduate Program Chemical Engineering Degree PHD Keyword DFT

1. Sulfur tolerance enhancement of steam reforming by binary metal catalysts

open_access
Open Access
Author:
Lee, Kyungtae
Title:
Sulfur tolerance enhancement of steam reforming by binary metal catalysts
Graduate Program:
Chemical Engineering
Keywords:
steam reforming
bimetallic catalysts
DFT
sulfur poisoning
Rh-Ni binary metals
BEP relationships
File:
Download Thesis_Kyungtae.pdf
Committee Members:
Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Robert Martin Rioux Jr., Committee Member
Enrique Daniel Gomez, Committee Member
Chunshan Song, Committee Member

2. Development of Multi-scale Computational Methods for Modeling Phase Formation in Pd-Based Catalysts

open_access
Open Access
Author:
Senftle, Thomas Patrick
Title:
Development of Multi-scale Computational Methods for Modeling Phase Formation in Pd-Based Catalysts
Graduate Program:
Chemical Engineering
Keywords:
Catalysis
DFT
ReaxFF
Palladium
Ceria
File:
Download Senftle_Dissertation_Final.pdf
Committee Members:
Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Chair/Co-Chair
Robert Martin Rioux Jr., Committee Member
Scott Thomas Milner, Committee Member

3. Multi-scale Atomistic Modeling for Electrocatalytic Applications

open_access
Open Access
Author:
Akhade, Sneha Anil
Title:
Multi-scale Atomistic Modeling for Electrocatalytic Applications
Graduate Program:
Chemical Engineering
Keywords:
electrocatalysis
DFT
ReaxFF
carbon dioxide electroreduction
electrokinetics
File:
Download Sneha_Akhade_PhDdissertation_final.pdf
Committee Members:
Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Phillip E Savage, Committee Member
Scott Thomas Milner, Committee Member
Adrianus C Van Duin, Outside Member
Janna Kay Maranas, Dissertation Advisor/Co-Advisor

4. KINETIC STUDY OF CO2 SORPTION BY SOLID AMINE MATERIALS AND CATALYTIC OXIDATION OF CARBON MONOXIDE BY CERIA-SUPPORTED SINGLE-ATOM NOBLE-METAL CATALYSTS

open_access
Open Access
Author:
Wang, Linxi
Title:
KINETIC STUDY OF CO2 SORPTION BY SOLID AMINE MATERIALS AND CATALYTIC OXIDATION OF CARBON MONOXIDE BY CERIA-SUPPORTED SINGLE-ATOM NOBLE-METAL CATALYSTS
Graduate Program:
Chemical Engineering
Keywords:
CO2 sorption
solid amine sorbents
heat of sorption
single-atom catalysis
kinetics
DFT
File:
Download Linxi_Wang_-_Ph.D_thesis_-_Fall_2020.pdf
Committee Members:
Robert Rioux, Dissertation Advisor/Co-Advisor
Robert Rioux, Committee Chair/Co-Chair
Phillip E Savage, Committee Member
Michael John Janik, Committee Member
Hilal Ezgi Toraman, Outside Member
Phillip E Savage, Program Head/Chair