Modeling Electrode Materials

Bridging Nanoscale to Mesoscale

Doctoral thesis (2018)
Research Group
RST/Storage of Electrochemical Energy
Copyright: © 2018 A. Vasileiadis
DOI: https://doi.org/10.4233/uuid:3a0da462-b912-4a60-9ff3-6f66b2cd0884
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Published Date

2018

Language

English

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Research Group

RST/Storage of Electrochemical Energy

Abstract

Computational modeling is shaping the fundamental understanding of key thermodynamic and kinetic properties in batteries, the importance of which is undeniable for the implementation of next-generation batteries, mobile and large-scale applications (chapter 1). In the present thesis, we employ density functional theory (DFT) at the nanoscale and phase field modeling at the mesoscale (chapter 2) to study both state-of-the-art and novel battery chemistries...

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