eTD Explore

Open Access

Author:: Dellostritto, Mark Joseph
Title:: MODELLING THE STRUCTURE AND DYNAMICS OF H-BOND NETWORKS AT OXIDE-WATER INTERFACES: FROM NEUTRON SPECTROSCOPY TO SUM FREQUENCY GENERATION
Graduate Program:: Physics
Keywords:: water
oxide
molecular dynamics
sum frequency generation
hydrogen bond
network
neutron
polarizability
density functional theory
File:: Download Thesis_mjd1056_Final.pdf
Committee Members:: Jorge Sofo, Dissertation Advisor/Co-Advisor
Jorge Sofo, Committee Chair/Co-Chair
Milton Cole, Committee Member
Mauricio Terrones, Committee Member
Lasse Jensen, Outside Member

Open Access

Author:: Cocking, Alexander Stephen
Title:: ENHANCEMENT OF SENSING CAPABILITIES AND FUNCTIONALIZATION OF OPTICAL MICRORESONATORS
Graduate Program:: Electrical Engineering
Keywords:: Optics
Resonators
Spectroscopy
2D Materials
File:: Download Dissertation_Rev_4.pdf
Committee Members:: Zhiwen Liu, Dissertation Advisor/Co-Advisor
Zhiwen Liu, Committee Chair/Co-Chair
Iam-Choon Khoo, Committee Member
Noel Christopher Giebink, Committee Member
Lasse Jensen, Outside Member
Qiming Zhang, Committee Member

Open Access

Author:: Hu, Zhongwei
Title:: ATOMISTIC ELECTRODYNAMICS-QUANTUM MECHANICAL METHODS TO MODEL SURFACE-ENHANCED NONLINEAR OPTICAL SPECTROSCOPIES
Graduate Program:: Chemistry
Keywords:: Time-Dependent Density Functional Theory
Damped Response Theory
Nonlinear Optical Properties
Hyper-Rayleigh Scattering
Hyper-Raman Scattering
Two-Photon Absorption
Surface-Enhanced Hyper-Raman Scattering
File:: Download ZhongweiHu-PSUThesis.pdf
Committee Members:: Lasse Jensen, Dissertation Advisor/Co-Advisor
Lasse Jensen, Committee Chair/Co-Chair
Paul S Cremer, Committee Member
William George Noid, Committee Member
Zhiwen Liu, Outside Member

Open Access

Author:: Boettger, Jason Daniel
Title:: CO2 Hydration and Hydroxylation: The Origin of Carbonate Kinetic Isotope Effects
Graduate Program:: Geosciences
Keywords:: isotopes
computational chemistry
isotope fractionation
carbonate
coral
File:: Download Boettger_Full_Dissertation_Final.pdf
Committee Members:: Susan Louise Brantley, Dissertation Advisor/Co-Advisor
Susan Louise Brantley, Committee Chair/Co-Chair
Matthew S Fantle, Committee Member
Katherine Haines Freeman, Committee Member
Lasse Jensen, Outside Member

Open Access

Author:: Grieco, Christopher
Title:: RELATING NANOSCALE STRUCTURE TO ELECTRONIC FUNCTION IN ORGANIC SEMICONDUCTORS USING TIME-RESOLVED SPECTROSCOPY
Graduate Program:: Chemistry
Keywords:: organic semiconductors
time-resolved spectroscopy
optical spectroscopy
photophysics
singlet fission
block-copolymers
inorganic phosphors
triplet dynamics
polaron recombination
organic solar cells
organic solar cell materials
x-ray diffraction
triplet-triplet annihilation
ultrafast mid-infrared spectroscopy
time-resolved vibrational spectroscopy
correlated triplet pair
pentacene derivatives
transient absorption spectroscopy
crystalline films
File:: Download Grieco_C_dissertation_final.pdf
Committee Members:: John B Asbury, Dissertation Advisor/Co-Advisor
John B Asbury, Committee Chair/Co-Chair
Lasse Jensen, Committee Member
Mark Maroncelli, Committee Member
Enrique Daniel Gomez, Outside Member

Open Access

Author:: Jonayat, A S M
Title:: Predicting Stability of Modified Oxide Surfaces with Functional Atomic-Layers for Nano-engineered Catalysts through First Principles Calculations and Statistical Learning
Graduate Program:: Mechanical Engineering
Keywords:: catalysis
monolayer metal oxide
mixed metal oxides
DFT
machine learning
compact sensing
feature selection
LASSO
File:: Download Thesis_ASM_JonayatV3.pdf
Committee Members:: Adri C.T. van Duin, Dissertation Advisor/Co-Advisor
Adri C.T. van Duin, Committee Chair/Co-Chair
Michael J. Janik, Committee Member
Richard Yetter, Committee Member
Lasse Jensen, Outside Member

Open Access

Author:: Pullanchery Sankara Narayanan, Saranya
Title:: PROBING INTERFACIAL WATER STRUCTURE NEXT TO LIPID MEMBRANES USING VIBRATIONAL SUM FREQUENCY SPECTROSCOPY
Graduate Program:: Chemistry
Keywords:: Vibrational Sum Frequency Spectroscopy
Interfacial Water Structure
Phospholipid monolayers
Ion-Lipid Interactions
File:: Download Saranya_Pullanchery_Dissertation_2018_Final.pdf
Committee Members:: Paul S. Cremer, Dissertation Advisor/Co-Advisor
Paul S Cremer, Committee Chair/Co-Chair
Lasse Jensen, Committee Member
John B Asbury, Committee Member
Robert Martin Rioux Jr., Outside Member

Open Access

Author:: Conway, Brian
Title:: MOLECULAR DYNAMICS SIMULATIONS OF IONIC LIQUIDS AND IONIC LIQUID - CONVENTIONAL SOLVENT MIXTURES
Graduate Program:: Chemistry
Keywords:: molecular dynamics
ionic liquids
classical simulation
spectroscopy
chemistry
physical chemistry
mixtures
ions
diffusion
rotation
solvation dynamics
File:: Download final_thesis.pdf
Committee Members:: Mark Maroncelli, Dissertation Advisor/Co-Advisor
Mark Maroncelli, Committee Chair/Co-Chair
Lasse Jensen, Committee Member
William Noid, Committee Member
Janna Maranas, Outside Member

Open Access

Author:: Van Burns, Emma Nicholson
Title:: Rate enhancement of chemical reactions using nanoscale heating generated by the photothermal effect of gold nanoparticles
Graduate Program:: Chemistry
Keywords:: photothermal heating
polyurethane
kinetics
gold nanoparticles
localized surface plasmon resonance
plasmonic heating
photothermal effect
File:: Download YourName-Dissertation.pdf
Committee Members:: Benjamin James Lear, Dissertation Advisor/Co-Advisor
Benjamin James Lear, Committee Chair/Co-Chair
Mark Maroncelli, Committee Member
Lasse Jensen, Committee Member
Noel Christopher Giebink, Outside Member

Open Access

Author:: Herbert, Patrick John
Title:: STRUCTURE-CORRELATED OPTICAL PROPERTIES OF MONOLAYER-PROTECTED METAL CLUSTERS STUDIED THROUGH MAGNETO-OPTICAL AND TIME-RESOLVED SPECTROSCOPIES
Graduate Program:: Chemistry
Keywords:: Magneto-Optical Spectroscopy
Nanomaterials
Clusters
File:: Download ThesisPJH_PostDefense.pdf
Committee Members:: Kenneth L. Knappenberger Jr., Dissertation Advisor/Co-Advisor
Kenneth L. Knappenberger Jr., Committee Chair/Co-Chair
John B Asbury, Committee Member
Lasse Jensen, Committee Member
Venkatraman Gopalan, Outside Member

Search