ASU Electronic Theses and Dissertations
This collection includes most of the ASU Theses and Dissertations from 2011 to present. ASU Theses and Dissertations are available in downloadable PDF format; however, a small percentage of items are under embargo. Information about the dissertations/theses includes degree information, committee members, an abstract, supporting data or media.
In addition to the electronic theses found in the ASU Digital Repository, ASU Theses and Dissertations can be found in the ASU Library Catalog.
Dissertations and Theses granted by Arizona State University are archived and made available through a joint effort of the ASU Graduate College and the ASU Libraries. For more information or questions about this collection contact or visit the Digital Repository ETD Library Guide or contact the ASU Graduate College at gradformat@asu.edu.
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- All Subjects: Defect Transport
ditions causing performance degradation over time. One of the root causes of such
degradation is due to point defect dynamics and time dependent changes in their
chemical nature. Previously developed Unified Solver was successful in explaining
the copper (Cu) metastability issues in cadmium telluride (CdTe) solar cells. The
point defect formalism employed there could not be extended to chlorine or arsenic
due to numerical instabilities with the dopant chemical reactions. To overcome these
shortcomings, an advanced version of the Unified Solver called PVRD-FASP tool was
developed. This dissertation presents details about PVRD-FASP tool, the theoretical
framework for point defect chemical formalism, challenges faced with numerical al-
gorithms, improvements for the user interface, application and/or validation of the
tool with carefully chosen simulations, and open source availability of the tool for the
scientific community.
Treating point defects and charge carriers on an equal footing in the new formalism
allows to incorporate chemical reaction rate term as generation-recombination(G-R)
term in continuity equation. Due to the stiff differential equations involved, a reaction
solver based on forward Euler method with Newton step is proposed in this work.
The Jacobian required for Newton step is analytically calculated in an elegant way
improving speed, stability and accuracy of the tool. A novel non-linear correction
scheme is proposed and implemented to resolve charge conservation issue.
The proposed formalism is validated in 0-D with time evolution of free carriers
simulation and with doping limits of Cu in CdTe simulation. Excellent agreement of
light JV curves calculated with PVRD-FASP and Silvaco Atlas tool for a 1-D CdTe
solar cell validates reaction formalism and tool accuracy. A closer match with the Cu
SIMS profiles of Cu activated CdTe samples at four different anneal recipes to the
simulation results show practical applicability. A 1D simulation of full stack CdTe
device with Cu activation at 350C 3min anneal recipe and light JV curve simulation
demonstrates the tool capabilities in performing process and device simulations. CdTe
device simulation for understanding differences between traps and recombination
centers in grain boundaries demonstrate 2D capabilities.