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Open Access

Author:: Mayernick, Adam David
Title:: Hydrocarbon Conversion Catalysis on Ceria-based Mixed Metal Oxides
Graduate Program:: Chemical Engineering
Keywords:: Density Functional Theory
Palladium
Catalysis
Ceria
Hydrocarbon Oxidation
File:: Download MAYERNICK_PHDTHESIS.pdf
Committee Members:: Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
Robert Martin Rioux Jr., Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Krcha, Matthew David
Title:: Cleanup of Biomass Gasification Effluent Using M-doped Ceria Catalysts
Graduate Program:: Chemical Engineering
Keywords:: Density Functional Theory
Catalysis
Ceria
Dopant
Hydrocarbon
Sulfur
File:: Download MatthewKrchaDissertation.pdf
Committee Members:: Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Robert Martin Rioux Jr., Committee Member
Scott Thomas Milner, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Chulhai, Dhabih Vishaal
Title:: INTERPRETING THE SPECTRAL SIGNATURES OF SURFACE-ENHANCED RAMAN SCATTERING
Graduate Program:: Chemistry
Keywords:: Spectroscopy
Surface Enhancement
Raman
SERS
Field Gradients
Plasmon
Nanoparticles
TERS
DFT
Subsystem DFT
Frozen Density Embedding
TDDFT
Density Functional Theory
File:: Download DhabihChulhai-PSUThesis.pdf
Committee Members:: Lasse Jensen, Dissertation Advisor/Co-Advisor
Lasse Jensen, Committee Chair/Co-Chair
Miriam Arak Freedman, Committee Member
William George Noid, Committee Member
Adrianus C Van Duin, Outside Member

Open Access

Author:: Wang, Tao
Title:: THEORY OF NANOTHREADS: ENUMERATION, STRUCTURE IDENTIFICATION, AND PROPERTIES
Graduate Program:: Physics
Keywords:: Nanothreads
Density Functional Theory
Enumeration
Structure Identification
Solid State NMR
File:: Download Dissertation_TaoWang.pdf
Committee Members:: Vincent H.Crespi, Dissertation Advisor/Co-Advisor
Vincent Henry Crespi, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
John V Badding, Committee Member
Adrianus C Van Duin, Outside Member

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