Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

This paper reports on 1D kinetic modeling of p‐type doping formation in Cu‐doped chlorinated CdSeTe photovoltaic (PV) absorbers with graded Se profiles. Following the recent progress in kinetic simulations of the defect chemistry in stoichiometric CdTe films, this work extends simulation capabilitie...

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Bibliographic Details
Published in:Physica status solidi. A, Applications and materials science Applications and materials science, 2019-08, Vol.216 (15), p.n/a
Main Authors: Sankin, Igor, Krasikov, Dmitry
Format: Article
Language:English
Subjects:
Absorbers
Alloy development
Alloys
Cadmium tellurides
CdTe
Computer simulation
defect chemistry
Defects
Diffusion barriers
Doping
Energy of formation
First principles
Free energy
Heat of formation
kinetic simulations
Organic chemistry
Photovoltaic cells
Solar cells
Stoichiometry
thin‐film photovoltaics
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Summary:This paper reports on 1D kinetic modeling of p‐type doping formation in Cu‐doped chlorinated CdSeTe photovoltaic (PV) absorbers with graded Se profiles. Following the recent progress in kinetic simulations of the defect chemistry in stoichiometric CdTe films, this work extends simulation capabilities to a domain of semiconductor alloy films with graded stoichiometries. The defect formation energies and ionization levels, as well as the diffusion and reaction barriers used in the reaction‐diffusion equations are calculated from the first principles. A new formalism is employed to account for the uncertainty of the defect formation energies in semiconductor alloys caused by unknown local surrounding. The developed methodology is used to model a practical fabrication process of p‐type doping formation in graded CdSeTe absorbers and to study the effect of alloy stoichiometry on the doping activation. This work presents a theoretical analysis of the process of doping formation in chlorinated CdSeTe PV absorbers with graded stoichiometry. Kinetic defect chemistry simulations are performed in 1‐D using parameters of defects and defect reactions obtained from first‐principles calculations. New formalism is developed to deal with uncertainties in defect formation energies caused by unknown local surrounding in semiconductor alloys.
ISSN:1862-6300
1862-6319
DOI:10.1002/pssa.201800887