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Filtrado por: Advisor Deskins, N Aaron Eliminar la restricciónAdvisor: Deskins, N Aaron Contributor Deskins, N Aaron Eliminar la restricciónContributor: Deskins, N Aaron

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Atomistic Modeling of Key Factors in Catalytic Ethanol Oxidation

Palabra clave:

Direct Ethanol Fuel Cells, Catalysis, Modeling, DFT, and Ethanol Oxidation

Creador:

Mei, Yuhan

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2021-07-07

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemical Engineering
Developing Viable Catalysts for Ethanol Oxidation Using Electronic Structure Calculations

Palabra clave:

Metal-Metal Oxides, Density Functional Theory, Segregation Energy, Ethanol Oxidation, Alloys, Cluster Expansion, and Direct Ethanol Fuel Cells

Creador:

Farsi, Lida

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2019-05-30

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemical Engineering
Effect of Defects and Photoexcited Electrons on CO2 Reduction using Supported Single Atom Catalysts

Palabra clave:

Oxygen Vacancy, CO2 Direct Dissociation, CO2 Reduction, TiO2 anatase (101), Photoexcitation, Supported Single Atom Catalysts, Photocatalysis, and Surface Defects

Creador:

Chen, Junbo

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2018-06-12

Resource Type:

Thesis

Degree:

MS

Unit (Department):

Chemical Engineering
Conversion of Carbon Dioxide to Fuels using Dispersed Atomic-Size Catalysts

Palabra clave:

density functional theory, Modeling, reaction conditions, supported cluster stability, atomic-size catalysts, supported catalyst, and CO2 Reduction

Creador:

Iyemperumal, Satish Kumar

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2018-06-15

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemical Engineering
Catalysis and Photocatalysis over TiO2 Surfaces Detailed from First Principles

Palabra clave:

Catalysis, computational chemistry, and metal oxides

Creador:

Garcia, Juan C

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2014-08-28

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemical Engineering
Iridium-based bimetallic alloy catalysts for the ethanol oxidation reaction for fuel cells modeled by density functional theory

Palabra clave:

Catalysis, iridium, CP2K, anode catalyst , ethanol fuel cell, and DFT theory

Creador:

Courtois, Julien

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2013-04-25

Resource Type:

Thesis

Degree:

MS

Unit (Department):

Chemical Engineering
Molecular Modeling of Adsorbed NDMA in MFI Zeolites

Palabra clave:

N-nitrosamines, Zeolite, Molecular Modeling, DFT, and NDMA

Creador:

Kamaloo, Elaheh

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2013-04-25

Resource Type:

Thesis

Degree:

MS

Unit (Department):

Chemical Engineering
Simulation of the diffusion of endocrine disrupting compounds in silicalite by molecular dynamics

Palabra clave:

benzene, nonylphenol, Zeolite, BPA, diffusion, Simulation, water, phenol, toluene, Molecular Dynamics, bisphenol-A, and neopentane

Creador:

Gabry, Thomas Jacques Andre

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Fecha de Creacion:

2012-04-26

Resource Type:

Thesis

Degree:

MS

Unit (Department):

Chemical Engineering

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PhD Dissertations4
Masters Theses4

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Creador

Chen, Junbo1
Courtois, Julien1
Farsi, Lida1
Gabry, Thomas Jacques Andre1
Garcia, Juan C1
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Advisor

Deskins, N Aaron[remove]8

Contributor

Datta, Ravindra3
Deskins, N Aaron[remove]8
Kaminski, George A.1
Kazantzis, Nikolaos K.3
Rao, Pratap1
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Unit (Department)

Chemical Engineering8

Editor

Worcester Polytechnic Institute8

Tipo de recurso

Dissertation4
Thesis4

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