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1. Ab initio study of surface chemistry for fuel processing: adsorptive desulfurization and carbon resistant steam reforming

open_access
Open Access
Author:
Guo, Jiahua
Title:
Ab initio study of surface chemistry for fuel processing: adsorptive desulfurization and carbon resistant steam reforming
Graduate Program:
Energy and Geo-Environmental Engineering
Keywords:
Adsorptive desulfurization
steam reforming
DFT
TiO2
CeO2
fuel processing
File:
Download Guo_JH_PhD_dissertation.pdf
Committee Members:
Chunshan Song, Dissertation Advisor/Co-Advisor
Chunshan Song, Committee Chair/Co-Chair
Michael John Janik, Committee Chair/Co-Chair
Harold Harris Schobert, Committee Member
Xiaoliang Ma, Committee Member
Mark Maroncelli, Committee Member

3. Mechanistic Studies on Selective Adsorption of Thiophenic Compounds on TiO2-CeO2 Oxides

open_access
Open Access
Author:
Watanabe, Shingo
Title:
Mechanistic Studies on Selective Adsorption of Thiophenic Compounds on TiO2-CeO2 Oxides
Graduate Program:
Energy and Geo-Environmental Engineering
Keywords:
desulfurization
adsorption
metal oxide
thiophene
CeO2
TiO2
File:
Download Shingo-PhDThesis-Dec-10-07.pdf
Committee Members:
Chunshan Song, Committee Chair/Co-Chair
Andre Louis Boehman, Committee Member
Sridhar Komarneni, Committee Member
Angela Lueking, Committee Member

4. PHOTOINDUCED ACTIVATION OF CO2 ON TiO2 SURFACES: QUANTUM CHEMICAL MODELING OF GROUND AND EXCITED STATES, AND IN SITU EPR STUDIES

open_access
Open Access
Author:
Indrakanti, Venkata Pradeep
Title:
PHOTOINDUCED ACTIVATION OF CO2 ON TiO2 SURFACES: QUANTUM CHEMICAL MODELING OF GROUND AND EXCITED STATES, AND IN SITU EPR STUDIES
Graduate Program:
Energy and Geo-Environmental Engineering
Keywords:
quantum calculations
DFT
CO2 activation
photocatalytic reduction of CO2
anatase
TiO2
CO2 utilization
File:
Download Pradeep_Thesis_Vita.pdf
Committee Members:
Harold Harris Schobert, Dissertation Advisor/Co-Advisor
Harold Harris Schobert, Committee Chair/Co-Chair
James David Kubicki, Committee Chair/Co-Chair
Chunshan Song, Committee Member
Kwadwo Osseo Asare, Committee Member
Adrianus C Van Duin, Committee Member

5. CHARGED POINT DEFECT IN RUTILE TIO2: FROM DEFECT CHARGE DISTRIBUTION TO DEFECT PHONON FREE ENERGY

open_access
Open Access
Author:
Li, Xin
Title:
CHARGED POINT DEFECT IN RUTILE TIO2: FROM DEFECT CHARGE DISTRIBUTION TO DEFECT PHONON FREE ENERGY
Graduate Program:
Materials Science and Engineering
Keywords:
TiO2
defect formation energy
phonon free energy
thermodynamics
defect phase diagram
File:
Download PhD_Dissertation.pdf
Committee Members:
Sarah Elizabeth Dickey, Dissertation Advisor/Co-Advisor
Elizabeth C Dickey, Committee Chair/Co-Chair
Long Qing Chen, Committee Member
Clive A Randall, Committee Member
Vincent Henry Crespi, Committee Member
Suzanne E Mohney, Committee Member

6. First-principles Thermodynamics of Phase Transition: from Metal to Oxide

open_access
Open Access
Author:
Mei, Zhigang
Title:
First-principles Thermodynamics of Phase Transition: from Metal to Oxide
Graduate Program:
Materials Science and Engineering
Keywords:
First-principles
thermodynamics
phase transitions
Ti
TiO2
BiFeO3
File:
Download ZhigangMei_Dissertation.pdf
Committee Members:
Zi Kui Liu, Dissertation Advisor/Co-Advisor
Long Qing Chen, Committee Member
Vincent Henry Crespi, Committee Member
Clive A Randall, Committee Member

7. Electron Transfer Kinetics in Water-splitting Dye-sensitized Photoelectrochemical Cells

open_access
Open Access
Author:
Swierk, John R
Title:
Electron Transfer Kinetics in Water-splitting Dye-sensitized Photoelectrochemical Cells
Graduate Program:
Chemistry
Keywords:
Photoelectrochemical
Water oxidation
catalysis
water-splitting
TiO2
File:
Download Thesis___Swierk_Final.pdf
Committee Members:
Thomas E Mallouk, Dissertation Advisor/Co-Advisor
Thomas E Mallouk, Committee Chair/Co-Chair
John B Asbury, Committee Member
Benjamin James Lear, Committee Member
Michael John Janik, Committee Member