Northwestern University

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Filtering by: Keyword Density Functional Theory Keyword Thermodynamics Subject Chemistry

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Thermodynamic and Electrochemical Models for Predicting Aqueous Materials Formation

Description:

A fundamental materials science question is “why and how will this material form?” The experimental,computation, and time resources necessary to answer this question consume significant resources due to the predominantly trial-and-error based approaches common in materials research. This dissertation reintroduces a number of fundamental thermodynamics-based tools for the study of...

Keyword:

Density Functional Theory, Aqueous Synthesis, Driving Force, Thermodynamics, Pourbaix Diagram, and Speciation

Subject:

Physics, Chemistry, and Materials Science

Creator:

Walters, Lauren Nichole

Owner:

Scholarly Digital Publishing

Language:

en

Date Uploaded:

02/16/2023

Date Created:

2022-01-01

Resource Type:

Dissertation

Alternate Identifier:

http://dissertations.umi.com/northwestern:16360 and etdadmin_upload_946544