Abstract

In this work, we have demonstrated the structural and optoelectronic properties of the surface of ternary/quaternary (CISe/CIGSe/CZTSe) chalcopyrite nanocrystallites passivated by tri-n-octylphosphine-oxide (TOPO) and tri-n-octylphosphine (TOP) and compared their charge transfer characteristics in the respective polymer: chalcopyrite nanocomposites by dispersing them in poly(3-hexylthiophene) polymer. It has been found that CZTSe nanocrystallites due to their high crystallinity and well-ordered 3-dimensional network in its pristine form exhibit a higher steric- and photo-stability, resistance against coagulation and homogeneity compared to the CISe and CIGSe counterparts. Moreover, CZTSe nanocrystallites display efficient photoluminescence quenching as evident from the high value of the Stern–Volmer quenching constant (KSV) and eventually higher charge transfer efficiency in their respective polymer P3HT:CZTSe composites. We modelled the dependency of the charge transfer from the donor and the charge separation mechanism across the donor–acceptor interface from the extent of crystallinity of the chalcopyrite semiconductors (CISe/CIGSe/CZTSe). Quaternary CZTSe chalcopyrites with their high crystallinity and controlled morphology in conjunction with regioregular P3HT polymer is an attractive candidate for hybrid solar cells applications.

Highlights

  • Organic photovoltaic (OPV) devices composed of polymer matrices can be regarded as promising third-generation solar cells amongst emerging PV technologies owing to their unique mechanical flexibility for tailored applications [1,2]

  • The mechanism of charge transfer for the ternary (CISe) and quaternary (CIGSe, CZTSe)-chalcopyrites was studied related to the interaction with the regioregular polymer P3HT

  • transmission electron microscopic (TEM) studies revealed a better tetragonal phase formation with faceted features for CZTSe in comparison to the copper indium diselenide (CISe) and CIGSe nanocrystallites, which seem to be characterized by a dominant agglomeration propensity

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Summary

Introduction

Organic photovoltaic (OPV) devices composed of polymer matrices can be regarded as promising third-generation solar cells amongst emerging PV technologies owing to their unique mechanical flexibility for tailored applications [1,2]. Nanocrystals of one of the well-known quarternary chalcopyrite copper-zinc-tinselenide (CZTSe) has been receiving considerable attention as a promising candidate for low-cost active absorber layers as it displays similar structure and optical properties to CISe. In order to achieve an efficient hybrid solar cell performance, it is imperative to control the morphology of both organic and inorganic components without any phase separation at macroscopic scale.

Results
Conclusion
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