A Molecular Dynamics Study on Defect Reduction in Thin Film Cd1-xZnxTe/CdS Solar Cells

JJ Chavez and XW Zhou and DK Ward and JL Cruz-Campa and D Zubia, 2014 IEEE 40TH PHOTOVOLTAIC SPECIALIST CONFERENCE (PVSC), 1593-1595 (2014).

Recently developed molecular dynamics models have been applied to study the formation of defects during growth of ZnTe-on-CdS multilayers. Our studies indicated that misfit dislocations are formed during growth, and the dislocation density can be reduced if the ZnTe layer is grown in a nano island configuration as opposed to a continuous film. These results highlight the use of molecular dynamics methods in providing valuable defect formation mechanism insight and guiding experimental efforts to produce high efficiency Cd1-xZnxTe solar cells.

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