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Author:

Zou, Chenyu

Title:

Development and Application of the ReaxFF Potential for Heterogeneous Catalysis and Metal Oxidation: Toward the Dynamic Sampling of Large Free Energy Surface

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF
Heterogeneous Catalysis
Metal Oxidation and Diffusion

File:

Download mythesis.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Michael John Janik, Committee Member
Donghai Wang, Committee Member
Lasse Jensen, Committee Member

Author:

Veghte, Daniel Philip

Title:

Morphology and Optical Properties of Aerosol Particles

Graduate Program:

Chemistry

Keywords:

Aerosol
Atmospheric
Chemistry
Cavity Ring-Down Spectroscopy
CRD
Electron Microscopy
TEM
SEM
Mineral Dust
Organic

File:

Download Thesis_Veghte.pdf

Committee Members:

Miriam Arak Freedman, Dissertation Advisor/Co-Advisor
Lasse Jensen, Committee Member
Karl Todd Mueller, Committee Member
Jose Dolores Fuentes, Committee Member

Author:

Vargas-barbosa, Nella Marie

Title:

Insights Into Electrochemical And Photoelectrochemical Water-splitting

Graduate Program:

Chemistry

Keywords:

electrochemistry
iridium oxide
solar fuels
catalysis
membrane
buffer
photo-electrochemistry
heterogeneous kintetics

File:

Download VargasBarbosaNM_dissertation.pdf

Committee Members:

Thomas E Mallouk, Dissertation Advisor/Co-Advisor
Thomas E Mallouk, Committee Chair/Co-Chair
Benjamin James Lear, Committee Member
Lasse Jensen, Committee Member
Darrell Velegol, Committee Member
Barbara Jane Garrison, Special Member

Author:

Moore, Justin Edward

Title:

Describing the Electronic Structure of Molecules on Metal Surfaces

Graduate Program:

Chemistry

Keywords:

Electronic Structure
DFT
SERS
LC Functionals
Orbital Renormalization
QMR

File:

Download JustinMoore-PSUThesis.pdf

Committee Members:

Lasse Jensen, Dissertation Advisor/Co-Advisor
Lasse Jensen, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Member
Benjamin James Lear, Committee Member
Gerald Knizia, Committee Member

Author:

Lin, Lan

Title:

Top-down and Bottom-up Integration of Engineered Nanostructures for Metamaterials

Graduate Program:

Electrical Engineering

Keywords:

Metamaterials
top-down
bottom-up

File:

Download Lan_Lin_PhD_Dissertation_May_2016.pdf

Committee Members:

Theresa Stellwag Mayer, Dissertation Advisor/Co-Advisor
Theresa Stellwag Mayer, Committee Chair/Co-Chair
Douglas Henry Werner, Committee Member
Zhiwen Liu, Committee Member
Lasse Jensen, Committee Member

Author:

Kafle, Kabindra

Title:

Understanding The Structure Of Cellulose Microfibrils Using Vibrational Sum-frequency-generation (SFG) Spectroscopy In Intact Plant Cell Walls And Processed Biomass

Graduate Program:

Chemistry

Keywords:

cellulose
sum frequency generation spectroscopy
cellulose microfibril orientation
polarized infrared
biomass

File:

Download PhD_Defense_Cellulose_SFG_Kabindra_Kafle_2016__PDF_FINAL_updated_vita_KK_04152016.pdf

Committee Members:

Seong H Kim, Dissertation Advisor/Co-Advisor
Daniel J Cosgrove, Committee Member
Harry R Allcock, Committee Member
Lasse Jensen, Committee Member

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

Author:

Read Rodríguez, Carlos G.

Title:

Nanostructured Materials for Solar Fuels Production: Synthesis, Characterization, and Evaluation

Graduate Program:

Chemistry

Keywords:

phosphides
hydrogen evolution
HER
OER
nanoparticles
electrochemistry
electrocatalysis
earth-abundant
synthesis
hybrid
heterostructure

File:

Download Carlos_Read_Dissertation.pdf

Committee Members:

Raymond Edward Schaak, Dissertation Advisor/Co-Advisor
Raymond Edward Schaak, Committee Chair/Co-Chair
Lasse Jensen, Committee Member
Benjamin James Lear, Committee Member
Michael Anthony Hickner, Outside Member

Author:

Harmon, Christopher L

Title:

New Insights in the Gas-Phase Ion Chemistry of Group IVB Transition Metal Oxides: Cluster Models for Catalysis

Graduate Program:

Chemistry

Keywords:

clusters
ion chemistry
catalysis

File:

Download Harmon_Dissertation_Final_Corrected.pdf

Committee Members:

Albert Welford Castleman Jr., Dissertation Advisor/Co-Advisor
Albert Welford Castleman Jr., Committee Chair/Co-Chair
Nicholas Winograd, Committee Member
Lasse Jensen, Committee Member
Robert Martin Rioux Jr., Outside Member

Author:

Islam, Md Mahbubul

Title:

Reactive Molecular Dynamics Simulations of Lithium Secondary Batteries - Interfaces and Electrodes

Graduate Program:

Mechanical Engineering

Keywords:

eReaxFF
ReaxFF
Reactive molecular dynamics
Solid eletrolyte interphase
Lithium-sulfur battery
Lithium-ion battery

File:

Download dissertation_Mahbub.pdf

Committee Members:

Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Donghai Wang, Committee Member
Hosam Kadry Fathy, Committee Member
Lasse Jensen, Outside Member