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Deskins, N Aaron
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Effect of Defects and Photoexcited Electrons on CO2 Reduction using Supported Single Atom Catalysts
Keyword:
Oxygen Vacancy
,
CO2 Direct Dissociation
,
CO2 Reduction
,
TiO2 anatase (101)
,
Photoexcitation
,
Supported Single Atom Catalysts
,
Photocatalysis
, and
Surface Defects
Creator:
Chen, Junbo
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2018-06-12
Resource Type:
Thesis
Degree:
MS
Unit (Department):
Chemical Engineering
Iridium-based bimetallic alloy catalysts for the ethanol oxidation reaction for fuel cells modeled by density functional theory
Keyword:
Catalysis
,
iridium
,
CP2K
,
anode catalyst
,
ethanol fuel cell
, and
DFT theory
Creator:
Courtois, Julien
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2013-04-25
Resource Type:
Thesis
Degree:
MS
Unit (Department):
Chemical Engineering
Conversion of Carbon Dioxide to Fuels using Dispersed Atomic-Size Catalysts
Keyword:
density functional theory
,
Modeling
,
reaction conditions
,
supported cluster stability
,
atomic-size catalysts
,
supported catalyst
, and
CO2 Reduction
Creator:
Iyemperumal, Satish Kumar
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2018-06-15
Resource Type:
Dissertation
Degree:
PhD
Unit (Department):
Chemical Engineering
Catalysis and Photocatalysis over TiO2 Surfaces Detailed from First Principles
Keyword:
Catalysis
,
computational chemistry
, and
metal oxides
Creator:
Garcia, Juan C
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2014-08-28
Resource Type:
Dissertation
Degree:
PhD
Unit (Department):
Chemical Engineering
Molecular Modeling of Adsorbed NDMA in MFI Zeolites
Keyword:
N-nitrosamines
,
Zeolite
,
Molecular Modeling
,
DFT
, and
NDMA
Creator:
Kamaloo, Elaheh
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2013-04-25
Resource Type:
Thesis
Degree:
MS
Unit (Department):
Chemical Engineering
Developing Viable Catalysts for Ethanol Oxidation Using Electronic Structure Calculations
Keyword:
Metal-Metal Oxides
,
Density Functional Theory
,
Segregation Energy
,
Ethanol Oxidation
,
Alloys
,
Cluster Expansion
, and
Direct Ethanol Fuel Cells
Creator:
Farsi, Lida
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2019-05-30
Resource Type:
Dissertation
Degree:
PhD
Unit (Department):
Chemical Engineering
Simulation of the diffusion of endocrine disrupting compounds in silicalite by molecular dynamics
Keyword:
benzene
,
nonylphenol
,
Zeolite
,
BPA
,
diffusion
,
Simulation
,
water
,
phenol
,
toluene
,
Molecular Dynamics
,
bisphenol-A
, and
neopentane
Creator:
Gabry, Thomas Jacques Andre
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2012-04-26
Resource Type:
Thesis
Degree:
MS
Unit (Department):
Chemical Engineering
Atomistic Modeling of Key Factors in Catalytic Ethanol Oxidation
Keyword:
Direct Ethanol Fuel Cells
,
Catalysis
,
Modeling
,
DFT
, and
Ethanol Oxidation
Creator:
Mei, Yuhan
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2021-07-07
Resource Type:
Dissertation
Degree:
PhD
Unit (Department):
Chemical Engineering
Unearthing Patterns in Venetian History: Developing an Online Tool for Discovering Patterns in Subterranean Archaeological Sites
Keyword:
Application software--Development
,
Historic preservation
, and
Web sites--Design and construction
Creator:
Liu, Xiaozhu
,
Stuehrmann, Lucy G.
,
Godsey, William George
, and
Kononenko, Natalia
Advisor:
Carrera, Fabio
and
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2017-01-12
Resource Type:
Interactive Qualifying Project
A Study of Potential Organometallic Photosensitizers for TiO2 Using Density Functional Theory
Creator:
Melendez, Peter L
and
Colman, Gillian Ceridwen
Advisor:
Deskins, N Aaron
Publisher:
Worcester Polytechnic Institute
Date Created:
2018-03-20
Resource Type:
Major Qualifying Project
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7
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Deskins, N Aaron
8
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Shanghai, China Project Center - MQP
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Venice, Italy Project Center - IQP
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