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Filtering by: Type Work Keyword Density functional theory Resource type Dissertation Subject Materials Science and Engineering

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Description:: Moving away from fossil fuels requires environmentally friendly and economically viable alternative energy sources. A wide adoption of new technologies for energy production and storage depends on better performing materials. Computational methods, such as electronic structure calculations and machine learning, hold the promise to work in conjunction with traditional experimentation...
Keyword:: Perovskites, Hydrogen production, Water splitting, Density functional theory, Materials discovery, and Machine learning
Subject:: Materials Science and Engineering
Creator:: Antoine Alexandre Emery
Owner:: Scholarly Digital Publishing
Date Uploaded:: 10/22/2018
Date Modified:: 10/22/2018
Date Created:: 2017-01-01
Resource Type:: Dissertation

Description:: Lithium ion batteries (LIBs) have been the most prominent electrochemical energy storage technology over the past decades and enabled the wireless evolution of portable electronic devices. Yet the expanded use of renewable but intermittent energy sources coupled with increasing demand for electric transportation vehicles put forward requirements to electrochemical energy...
Keyword:: First-principles calculation, Lithium ion battery, and Density functional theory
Subject:: Materials Science and Engineering
Creator:: Zhengpeng Yao
Owner:: Scholarly Digital Publishing
Date Uploaded:: 02/18/2019
Date Modified:: 02/18/2019
Date Created:: 2018-01-01
Resource Type:: Dissertation

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