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Author:

Rostamikia, Gholamreza

Title:

BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM

Graduate Program:

Chemical Engineering

Keywords:

DBFC
Borohydride
DFT
Electrocatalysis

File:

Download Reza-MS-Thesis.pdf

Committee Members:

Michael John Janik, Thesis Advisor/Co-Advisor
Michael John Janik, Thesis Advisor/Co-Advisor

Author:

Popczun, Eric John

Title:

Nanostructured Earth-abundant Materials as Catalysts for the Hydrogen Evolution Reaction

Graduate Program:

Chemistry

Keywords:

Nanoscience
Metal phosphide
Hydrogen evolution
Nanoparticles
Electrochemistry
Electrocatalysis
Earth-abundant
Catalysis

File:

Download Dissertation_PopczunE_FA_15.pdf

Committee Members:

Raymond Edward Schaak, Dissertation Advisor/Co-Advisor
Benjamin James Lear, Committee Member
Christine Dolan Keating, Committee Member
James Hansell Adair, Committee Member

Author:

Wiltrout, Alex Michael

Title:

Nanostructured Transition Metal Sulfide Catalysts for Electrochemical Water Splitting

Graduate Program:

Chemistry

Keywords:

Nanoscience
Metal sulfide
Water splitting
Electrocatalysis
Hydrogen evolution
Oxygen evolution

File:

Download M.S._Thesis_-_Alex_Wiltrout.pdf

Committee Members:

Raymond Edward Schaak, Thesis Advisor/Co-Advisor
Christine Dolan Keating, Thesis Advisor/Co-Advisor
Thomas E Mallouk, Thesis Advisor/Co-Advisor

Author:

Weitzner, Stephen E

Title:

Quantum–Continuum Modeling of Electrodeposition

Graduate Program:

Materials Science and Engineering

Keywords:

Electrochemistry
Density functional theory
DFT
Solvation
Quantum-Continuum
Interface
Electrodeposition
Underpotential deposition
Thermodynamics
Statistical Mechanics
Monte Carlo
Implicit solvent
Multiscale
Alloy
Electrode
Catalysis
Electrocatalysis
UPD
Cluster expansion

File:

Download Stephen_Weitzner_Dissertation_Final.pdf

Committee Members:

Ismaila Dabo, Dissertation Advisor/Co-Advisor
Kwadwo Osseo-Asare, Committee Chair/Co-Chair
Ralph Colby, Committee Member
Hojong Kim, Committee Member
Michael Janik, Outside Member

Author:

Mondschein, Jared Scott

Title:

Heterogeneous Catalysts for the Oxygen Evolution Reaction and the Hydrolysis of Ammonia Borane

Graduate Program:

Chemistry

Keywords:

Oxygen Evolution Reaction
Electrocatalysis
Ammonia Borane
Water Splitting
Hydrogen

File:

Download Mondschein_Jared_PhDThesis.pdf

Committee Members:

Raymond Edward Schaak, Dissertation Advisor/Co-Advisor
Raymond Edward Schaak, Committee Chair/Co-Chair
John B Asbury, Committee Member
Benjamin James Lear, Committee Member
Michael John Janik, Outside Member

Author:

Seth, Kriti

Title:

RUTHENIUM BASED HETEROGENEOUS CATALYSTS FOR THE HYDROGEN EVOLUTION REACTION IN HIGHLY ACIDIC ELECTROLYTES

Graduate Program:

Chemistry

Keywords:

Hydrogen Evolution Reaction
Electrocatalysis
Water-Splitting
phosphides
intermetallics

File:

Download MS_Thesis_Penn_State_Kriti_Seth_3.pdf

Committee Members:

Raymond Edward Schaak, Thesis Advisor/Co-Advisor
Raymond Edward Schaak, Thesis Advisor/Co-Advisor
Christine Dolan Keating, Committee Member
Miriam Arak Freedman, Committee Member

Author:

Maheshwari, Sharad

Title:

Interfacial Design Strategies for Enhanced Nitrogen Reduction Electrocatalysis

Graduate Program:

Chemical Engineering

Keywords:

Electrocatalysis
Density Functional Theory
Electrochemical Nitrogen Reduction
Interfacial Effects
Computational Catalysis
Electrokinetics

File:

Download Final_Thesis_Sharad_Maheshwari.pdf

Committee Members:

Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Scott Thomas Milner, Committee Member
Robert Rioux, Committee Member
Thomas E Mallouk, Outside Member
Ismaila Dabo, Outside Member
Phillip E Savage, Program Head/Chair

Author:

Holder, Cameron

Title:

Discovery of Materials for Renewable Energy Applications

Graduate Program:

Chemistry

Keywords:

Energy
Nanomaterials
Characterization
Electrocatalysis

File:

Download HolderCameron_FinalDissertation_20201220.pdf

Committee Members:

Raymond Edward Schaak, Dissertation Advisor/Co-Advisor
Raymond Edward Schaak, Committee Chair/Co-Chair
Ayusman Sen, Committee Member
John B Asbury, Committee Member
Robert Rioux, Outside Member
Philip C Bevilacqua, Program Head/Chair

Author:

Hossain, Md Jamil

Title:

Reaxff And eReaxff Reactive Force Field Development And Applications To Energy Storage Interfaces

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF
eReaxFF
Reactive Force Field
Reactive Molecular Dynamics
Computational Chemistry
Energy Storage
Interfaces
Lithium ion Battery
Solid Electrolyte Interphase
Solid Oxide
Electrocatalysis
graphene
Electron Conduction
Accelerated Molecular Dynamics
Parallel Replica Dynamics
Collective Variable Hyperdynamics

File:

Download PhD_Dissertation_Md_Jamil_Hossain.pdf

Committee Members:

Donghai Wang, Major Field Member
Chao-Yang Wang, Major Field Member
Michael Janik, Outside Unit & Field Member
Adri van Duin, Chair & Dissertation Advisor
Daniel Haworth, Professor in Charge/Director of Graduate Studies

Author:

Ostervold, Lars

Title:

Fundamental Electrocatalysis Design for Glucose Upgrading

Graduate Program:

Chemical Engineering

Keywords:

Electrocatalysis
Operando Raman Spectroscopy
X-ray Absorption Spectroscopy
Density Functional Theory
Biomass Upgrading

File:

Download Dissertation_Ostervold_Final.pdf

Committee Members:

Seong Kim, Professor in Charge/Director of Graduate Studies
Simon Bare, Special Member
Ezra Clark, Co-Chair & Dissertation Advisor
Lauren Greenlee, Major Field Member
Michael Janik, Co-Chair & Dissertation Advisor
Michael Hickner, Outside Unit & Field Member

Author:

Piane, Jacob

Title:

New Catalytic Concepts for Electron-Transfer Promoted Reactions

Graduate Program:

Chemistry

Keywords:

Catalysis
Electrochemistry
Electrocatalysis
Phenothiazine
Photoredox
Pyrylium
Dehydration
Single-Chain Polymer Nanoparticles
Electron Transfer
Acyl Substitution
Amidation
Oxidation
Dimerization
Esterification

File:

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Committee Members:

Elizabeth Elacqua, Co-Chair & Dissertation Advisor
Eric Nacsa, Co-Chair & Dissertation Advisor
Christian Pester, Outside Unit & Field Member
Raymond Schaak, Major Field Member
Philip Bevilacqua, Program Head/Chair
Jonathan Kuo, Major Field Member

Author:

Tran, Hoang

Title:

Electrocatalysis at the Electrode/Electrolyte Interface: a Multiscale Molecular Model

Graduate Program:

Chemical Engineering

Keywords:

Electrocatalysis
Molecular modeling
DFT
Molecular dynamics

File:

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Committee Members:

Robert Rioux, Major Field Member
Scott Milner, Co-Chair & Dissertation Advisor
Ismaila Dabo, Outside Unit & Field Member
Michael Janik, Co-Chair & Dissertation Advisor
Adri van Duin, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies

Author:

Bhattacharya, Deepra

Title:

Block copolymer templated extended surface precious metal nanostructures as model electrocatalysts

Graduate Program:

Chemical Engineering

Keywords:

Block copolymers
Nanofabrication
Lithography
Oxygen Reduction
Hydrogen Evolution
Electrocatalysis
Electrochemistry

File:

Login to Download

Committee Members:

Robert Hickey, Outside Unit & Field Member
Enrique Gomez, Major Field Member
Seong Kim, Major Field Member
Christopher Arges, Chair & Dissertation Advisor
Seong Kim, Professor in Charge/Director of Graduate Studies