研究目的
Investigating the effect of cesium (Cs) incorporation through a post-deposition treatment (PDT) on the performance of Cu(In,Ga)Se2 (CIGS) thin-film solar cells, focusing on the distribution of Cs and its impact on the local absorber composition and microstructure.
研究成果
The CsF-PDT leads to a modification of the absorber at the CIGS/CdS interface and the formation of a beneficial secondary phase. Cs accumulations at random high angle grain boundaries correlate with compositional variations, suggesting passivation of these boundaries. DFT calculations support the experimental findings, indicating that Cs replaces Cu or occupies interstitial sites at grain boundaries, leading to their passivation.
研究不足
The detection limit for Cs was estimated to about 0.1 at%, and the quantification of absolute concentrations was complicated by the presence of low-order harmonics contributions from the undulator radiation. The small size of the investigated area does not allow a definite preclusion of 'hot-spots' of Cs accumulation.
1：Experimental Design and Method Selection
The study employed a combinatory approach using high-resolution techniques such as synchrotron-based nano-XRF, STEM, TKD, EBSD, and DFT calculations to investigate the local composition and microstructure of CIGS solar cells with and without CsF-PDT.
2：Sample Selection and Data Sources
Solar cells with a CsF-PDT and without any PDT were produced within the same CIGS deposition run. Cross-sectional lamellas of complete solar cells were prepared for analysis.
3：List of Experimental Equipment and Materials
FEI Helios Nanolab 600i for lamella preparation and STEM measurements, EDAX Hikari camera for TKD, Jeol JSM 7001 F SEM for EBSD, nano-analysis beamline ID16B of the European Synchrotron Radiation Facility for nano-XRF, and Vienna Ab-initio Simulation Package (VASP) for DFT calculations.
4：Experimental Procedures and Operational Workflow
The CIGS absorbers were deposited, subjected to CsF-PDT, and analyzed using the aforementioned techniques. The local compositions of the lamellas were measured, and the microstructure and grain orientation in the CIGS layer were determined.
5：Data Analysis Methods
X-ray fluorescence spectra were fitted using PyMca for elemental concentration maps. TKD and EBSD data were analyzed with TSL OIM software. DFT calculations were performed to model the incorporation of Cs and its impact on the electronic properties at the grain boundaries.
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