In recent years, the strategies used to break the Cu(In,Ga)Se2 (CIGS) world record of light to power conversion efficiency, were based on improvements of the absorber optoelectronic and crystalline properties, mainly using complex post-deposition treatments. To reach even higher efficiency values, advances in the solar cell architecture are needed focusing in the CIGS interfaces. In this study, we evaluate the structural, morphological and optoelectronic impact on the CIGS properties of using an Al2O3 layer as a potential front passivation layer. The impact of Al2O3 tunnelling layer between CIGS and CdS is also addressed in this study. Morphological and structural analyses reveal that the use of Al2O3 alone is not detrimental to CIGS, although it does not resist to the CdS chemical bath deposition. When CdS is deposited on top of Al2O3, the CIGS optoelectronic properties are heavily degraded. Nonetheless, when Al2O3 is used alone, optoelectronic measurements reveal a positive impact of its inclusion such as a very low concentration of interface defects and the CIGS keeping the same recombination channels. With the findings of this study the best use of Al2O3 front passivation layer could be with alternative buffer layers. The Al2O3 layer will keep the CIGS surface with a low density of defects while keeping its structural and optoelectronic properties as good as the ones when CdS is deposited. It can also be reported that a comparison between the different analyses allowed us to strongly suggest for the first time that low-energy muon spin spectroscopy (LE-μSR) is sensitive to both charge carrier separation and bulk recombination in complex semiconductors.

As devices become smaller and more complex, the interfaces between adjacent materials become increasingly important and are often critical to device performance. An important research goal is to improve the interface between the absorber and the window layer by inserting buffer layers to adjust the transition. Depth‐resolved studies are key for a fundamental understanding of the interface. In the present experiment, the interface between the chalcopyrite Cu(In,Ga)Se2 absorber and various buffer layers are investigated using low‐energy muon spin rotation (μSR) spectroscopy. Depth resolution in the nm range is achieved by implanting the muons with different energies so that they stop at different depths in the sample. Near the interface, a region about 50 nm wide is detected where the lattice is more distorted than further inside the absorber. The distortion is attributed to the long‐range strain field caused by defects. These measurements allow a quantification of the corresponding passivation effect of the buffer layer. Bath‐deposited cadmium sulfide provides the best defect passivation in the near interface region, in contrast to the dry‐deposited oxides, which have a much smaller effect. The experiment demonstrates the great potential of low energy μSR spectroscopy for microscopic interfacial studies of multilayer systems.

First-principles calculations were performed jointly with muon-spin (µSR) spectroscopy experiments in order to examine the electrical activity of hydrogen in mixed-cation chalcopyrite Cu(In1−x,Gax)Se2 (CIGS) alloys and other related compounds commonly used as absorbers in solar-cell technology. The study targeted the range of Ga concentrations most relevant in typical solar cells. By means of a hybridfunctional approach the charge-transition levels of hydrogen were determined and the evolution of the defect pinning level, E(+/-), was monitored as a function of the Ga content. The use of E(+/-) as a metric of the charge-neutrality level allowed the alignment of band structures, thus providing the band offsets between the CuInSe2 compound and the CIGS alloys. The µSR measurements in both thin-film and bulk CIGS materials confirmed that the positively-charged state is the thermodynamically stable configuration of hydrogen for p-type conditions. The interpretation of the µSR data further addressed the existence of a metastable quasi-atomic neutral configuration that was resolved from the calculations and led to a formation model for muon implantation.

The influence of a buffer layer in the surface of a Cu(In,Ga)Se2 (CIGS) solar cell material is studied using implanted positive muons as a probe. A depth resolved analysis of the muon data suggests that both CdS and ZnSnO reduce the width of a defect layer present at the CIGS surface to about half its original value. Additionaly, CdS is able to reduce the intensity of the distur¬bance in the defected region, possibly due to a surface reconstrution in CIGS.

The slow muon technique was used to study the p-n junction of chalcopyrite solar cells. A defect layer near the interface was identified and the passivation of the defects by buffer layers was studied. Several cover layers on top of the chalcopyrite Cu(In,Ga)Se2 (CIGS) semiconductor absorber were investigated in this work, namely CdS, ZnSnO, Al2O3 and SiO2. Quantitative results were obtained: The defect layer extends about 50 nm into the CIGS absorber, the relevant disturbance is strain in the lattice, and CdS provides the best passivation, oxides have a minor effect. In the present contribution, specific aspects of the low-energy muon technique in connection with this research are discussed.