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Author:

Yan, Tianyu

Title:

Shape control and shape transformations of metal nanocrystals: insights from molecular dynamics simulations

Graduate Program:

Chemical Engineering (PHD)

Keywords:

shape control
metal nanocrystal growth
molecular dynamics simulation
solution-phase synthesis

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Committee Members:

Xueyi Zhang, Major Field Member
Kristen Fichthorn, Chair & Dissertation Advisor
Scott Milner, Major Field Member
Adri van Duin, Outside Unit & Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies

Author:

Shetty, Shreya

Title:

Predicting molecular structure-property relationship using molecular dynamic simulations

Graduate Program:

Chemical Engineering (PHD)

Keywords:

MD simulations
Nematic Coupling
Flory Huggins Interaction parameter
SCFT
Mutual Ghosting
Morphing

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Committee Members:

Christian Pester, Major Field Member
Ismaila Dabo, Outside Unit & Field Member
Adri van Duin, Major Field Member
Seong Han Kim, Professor in Charge/Director of Graduate Studies
Enrique Gomez, Co-Chair & Dissertation Advisor
Scott Milner, Co-Chair & Dissertation Advisor

Author:

Nejatishahidein, Negin

Title:

DEPTH FILTERS IN BIOPROCESSING: PERFORMANCE AND SCALE-UP

Graduate Program:

Chemical Engineering (PHD)

Keywords:

CFD
clarification
depth filtration
flow distribution
lenticular stack
scale‐up
cell culture fluid
host cell proteins
protein binding
monoclonal antibodies
flow structure

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Committee Members:

Andrew Zydney, Chair & Dissertation Advisor
William Hancock, Outside Unit & Field Member
Ali Borhan, Major Field Member
Stephanie Velegol, Major Field Member
Seong H. Kim, Professor in Charge/Director of Graduate Studies

Author:

Bell, Kirsten

Title:

Photocatalytic Polymer Brush Functionalized Glass Beads for Enhanced Heterogeneous Photocatalysis

Graduate Program:

Chemical Engineering (PHD)

Keywords:

photocatalysis
photocatalysts
heterogeneous
polymerizations
controlled radical polymerizations

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Committee Members:

Robert Hickey, Outside Unit & Field Member
Bryan Vogt, Major Field Member
Robert Rioux, Major Field Member
Christian Pester, Chair & Dissertation Advisor
Seong Kim, Professor in Charge/Director of Graduate Studies

Author:

Tran, Hoang

Title:

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

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Electrocatalysis
Molecular modeling
DFT
Molecular dynamics

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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:

Jahanmahin, Omid

Title:

STUDYING THE UNDERLYING MECHANISMS OF NANOPARTICLE ASSEMBLY AND ATTACHMENT: INSIGHTS FROM MONTE CARLO AND MOLECULAR DYNAMICS SIMULATIONS

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Directed self-assembly
semiconductor
insulator
Monte Carlo simulation
COMSOL simulation
surface element integration
Dielectrophoresis (DEP)
Oriented Attachment (OA)
Atomic-scale investigations
Rare event sampling
Umbrella sampling
MD simulation
In silico studies
Reactive force field (ReaxFF)
Gold nanowire (NW) self-assembly
Nanoparticle assembly
Surface element integration (SEI)
Semiconductor
Insulator
Dielectric particles

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Committee Members:

Kristen Fichthorn, Chair & Dissertation Advisor
Christine Keating, Outside Unit & Field Member
Darrell Velegol, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Themis Matsoukas, Major Field Member

Author:

Lin, Yen Ting

Title:

Understanding glass-water interactions by spectroscopic investigation of surface structure

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Glass surface
AFM-IR
Water Adsorption
Spectroscopy
Material Interfaces

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Committee Members:

Bryan Vogt, Major Field Member
Seong Kim, Chair & Dissertation Advisor
Themis Matsoukas, Major Field Member
John Mauro, Outside Unit & Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Christian W. Pester, Special Signatory

Author:

Agarwal, Prawal

Title:

Nanoengineering and Synthesis of Metal-Based Materials for Enhanced Energetic Performance

Graduate Program:

Chemical Engineering (PHD)

Keywords:

nanoenergetics
nonthermal plasma
PECVD
self-propagating high-temperature synthesis reactions
thermal oxidation
hydrogen plasma
solid-state reactions
surface chemistry
material synthesis
material characterization
thermite reactions
intermetallic reactions
metal nanoparticles
boron
magnesium
aluminum

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Committee Members:

Robert Rioux, Professor in Charge/Director of Graduate Studies
Robert Rioux, Chair & Dissertation Advisor
Ali Borhan, Major Field Member
Stephanie Velegol, Major Field Member
Richard A Yetter, Special Member
Raymond Schaak, Outside Unit & Field Member

Author:

Masucci, Ashley

Title:

Platform to graft conjugated polymers for optoelectronic applications

Graduate Program:

Chemical Engineering (PHD)

Keywords:

conjugated polymer
polymer nanoparticles
fluorescent polymers
photocatalysts
photocatalysis
charge transfer

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Committee Members:

Robert Hickey, Outside Unit & Field Member
Enrique Gomez, Co-Chair & Dissertation Advisor
Bryan Vogt, Major Field Member
Scott Milner, Major Field Member
Christian Pester, Co-Chair & Dissertation Advisor
Robert Rioux, Professor in Charge/Director of Graduate Studies

Author:

Kim, Junseok

Title:

The role of halides in the anisotropic growth of fcc nanocrystals

Graduate Program:

Chemical Engineering (PHD)

Keywords:

fcc nanocrystals
anisotropic growth
density functional theory (DFT)
multi-scale theory
halide
solution-phase

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Committee Members:

Kristen Fichthorn, Chair & Dissertation Advisor
Lasse Jensen, Outside Unit & Field Member
Michael Janik, Major Field Member
Adri van Duin, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies

Author:

Ayhan, Ismail Alperen

Title:

High-Performance Multi-Component Organic Solar Cells: Morphology and Device Performance

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Organic Solar Cells
Binary Blends
Ternary Blends
Organic Semiconductors
Fullerene
Nonfullerene
Morphology
Crystallinity
EF-TEM
GIWAXS

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Committee Members:

Enrique Gomez, Chair & Dissertation Advisor
Michael Hickner, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Noel Giebink, Outside Unit Member
Joan Redwing, Outside Field Member
Christian Pester, Major Field Member

Author:

Kim, Minyoung

Title:

Transport Phenomena in Curved Geometries: Fundamentals and Applications

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Transport phenomena
Computational fluid dynamics
Fluid mechanics
Microfluidics

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Committee Members:

Andrew Zydney, Major Field Member
Ali Borhan, Chair & Dissertation Advisor
Rebecca Bascom, Outside Unit & Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Seong Kim, Major Field Member

Author:

Sutjianto, James

Title:

Development of Multifunctional and Recyclable Organic Thin-Film Transistors for Wearable and Sustainable Organic Electronics

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Organic Thin-Film Transistors
Wearables
Multifunctional
Adhesive
Stretchable
Semiconductive
Conjugated Polymers
Polymers
Elastomers
Recyclable
Sustainable

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Committee Members:

Enrique Gomez, Chair & Dissertation Advisor
Hee Jeung Oh, Major Field Member
Christian Pester, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Robert Hickey, Outside Unit & Field Member

Author:

Del Mundo, Joshua

Title:

Advanced X-ray Scattering of Plant Cell Walls

Graduate Program:

Chemical Engineering (PHD)

Keywords:

cell wall
cellulose
XRD
SAXS
WAXS
GIWAXS
primary cell wall
secondary cell wall
pectin
lignin
xylan
xyloglucan
RSoXS
NEXAFS
plant cell wall
lignocellulose
synchrotron
mechanics
hydration

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Committee Members:

Robert Rioux, Professor in Charge/Director of Graduate Studies
Enrique Gomez, Co-Chair & Dissertation Advisor
Esther Gomez, Co-Chair & Dissertation Advisor
Bryan Vogt, Major Field Member
Seong Kim, Major Field Member
Daniel Cosgrove, Outside Unit & Field Member

Author:

Lafleur, Travis

Title:

Predictive Models for Gene Expression Engineering

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Transcription
Machine Learning
Biological Engineering
Synthetic Biology

File:

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Committee Members:

Andrew Zydney, Major Field Member
Howard Salis, Chair & Dissertation Advisor
Edward O'Brien, Outside Unit & Field Member
Costas Maranas, Major Field Member
Robert Rioux, Professor in Charge/Director of Graduate Studies

Author:

Mu, Yanyu

Title:

Solvent Effects on Acid-Base Interactions in Zeolites

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Solvent effects
zeolite catalysis

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Committee Members:

Xueyi Zhang, Major Field Member
Robert Rioux, Chair & Dissertation Advisor
Michael Janik, Major Field Member
Seong H. Kim, Professor in Charge/Director of Graduate Studies
Stephen Chmely, Outside Unit & Field Member

Author:

Billups, Matthew

Title:

Role of membrane and monoclonal antibody properties on flux decline during virus filtration

Graduate Program:

Chemical Engineering (PHD)

Keywords:

virus filtration
monoclonal antibodies
flux decline
membrane structure

File:

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Committee Members:

Seong Kim, Professor in Charge/Director of Graduate Studies
Andrew Zydney, Chair & Dissertation Advisor
Hee Jeung Oh, Major Field Member
Stephanie Velegol, Major Field Member
Ashik Sathish, Outside Unit & Field Member

Author:

Bhattacharya, Deepra

Title:

Block copolymer templated extended surface precious metal nanostructures as model electrocatalysts

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Block copolymers
Nanofabrication
Lithography
Oxygen Reduction
Hydrogen Evolution
Electrocatalysis
Electrochemistry

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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

Author:

Agrawal, Naveen

Title:

DECONSTRUCTING THE COMPLEXITY OF INTERFACIAL ELECTROCATALYSIS

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Computational Catalysis
Electrochemistry
Electric Double Layer

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Committee Members:

Robert Rioux, Major Field Member
Scott Milner, Major Field Member
Ismaila Dabo, Outside Unit, Field & Minor Member
Michael Janik, Chair & Dissertation Advisor
Seong H. Kim, Program Head/Chair

Author:

Shi, Pei

Title:

Development of Functional Materials for Fast-charging Graphite Anode and Stabilization of Lithium Metal Anode in Rechargeable Lithium Batteries

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Rechargeable batteries
Lithium metal batteries
Solid electrolyte interphase
Fast charging batteries

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Committee Members:

Robert Rioux, Major Field Member
Donghai Wang, Chair & Dissertation Advisor
Hojong Kim, Outside Unit & Field Member
Adri van Duin, Major Field Member
Robert Rioux, Professor in Charge/Director of Graduate Studies