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Full-Text Articles in Chemistry
First-Principles Study Of Doping Effects On Ferroelectricity And On Rashba Spin Splitting, Zegnet Yimer Muhammed
First-Principles Study Of Doping Effects On Ferroelectricity And On Rashba Spin Splitting, Zegnet Yimer Muhammed
Graduate Theses and Dissertations
In this dissertation, we have thoroughly studied the effect of chemical and charge dopingon ferroelectrics (PbTiO3 and BaTiO3) and Rashba type semiconductor (BiTeI). In the first project, We investigate the polar instability and soft modes in electron-doped PbTiO3 using linear-response density functional calculations. Because, metallicity and ferroelectric-like polar distortion are mutually non-compatible, and their coexistence in the same system is an intriguing subject of fundamental interest in the field of structure phase transition. However, it is unclear what mechanism may extend the limit of metallicity that allows polar distortion. We find that ferroelectric instability can remarkably sustain up to an …
Hierarchically Structured Photoelectrodes Via Atomic Layer Deposition, Justin Rowan Reed Demoulpied
Hierarchically Structured Photoelectrodes Via Atomic Layer Deposition, Justin Rowan Reed Demoulpied
Graduate Theses and Dissertations
In the search for a sustainable method to meet increasing energy needs, solar energy emerges as an underutilized, plentiful resource. Solar intermittency and requirements for transportation necessitate storing solar energy in the form of chemical bonds via artificial photosynthesis. Photoelectrochemical (PEC) water splitting generates hydrogen fuel from solar energy and water. A semiconducting material that successfully meets the complex requirements for building an industrially scalable PEC device has yet to emerge. This is leading to a reevaluation of materials previously overlooked within PEC research, mainly materials with limitations such as minimal charge carrier mobility and propensity to corrosion under illumination …