Molecular Dynamics Simulations of ZnTe/Cu Back Contacts for CdTe Solar Cells

R Aguirre and JJ Chavez and XW Zhou and SF Almeida and D Zubia, 2016 IEEE 43RD PHOTOVOLTAIC SPECIALISTS CONFERENCE (PVSC), 1405-1407 (2016).

Molecular dynamics (MD) simulations have been applied to study the growth of ZnTe/Cu/CdTe layers on CdTe substrates. Our studies show that Cu forms pure clusters and ejects Cd atoms within the CdTe layer out towards the film's surface. Elemental concentration plots indicate that the amount of Cu added to the growth plays an important role on the intermixing between ZnTe and CdTe layers and the doping of CdTe. These results provide useful insight to the development of effective and reliable back contacts used in CdTe solar cells.

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