Solar cell degradation can occur through many pathways and at the different stages of the fabrication process, notably because of the water condensation. In the case of Cu(In,Ga)Se ₂ (CIGS) solar cells, the impact of water ingress on Mo back contact can be substantial for not only the film itself but also the device performance and reliability. Microstructural modification, change in film morphology, loss in reflectance, and increased resistivity because of the moisture ingress were observed via X-ray diffraction, transmission electron microscopy, spectroscopic ellipsometry, and four-point probe measurements, respectively. Secondary ion mass spectrometry measurements revealed drastic changes in the alkali (Na, K) profiles in both the CIGS and Mo layers, likely because of the modification of their diffusion coefficient through Mo. This, in turn, negatively impacts the solar cell efficiency by decreasing both fill factor and open-circuit voltage. Additional experiments, modifying the substrate and utilizing a NaF postdeposition treatment, highlight the mechanisms of degradation as being due to both a modification of the Mo/CIGS interface and the lack of alkali diffusion after water ingress.

The impact of moisture and heat treatment on the microstructural, chemical, and electrical properties of Cu(In, Ga)Se $_2$ films and their collective effect on the solar cell device performance was studied. X-ray photoelectron spectroscopy and secondary ion mass spectroscopy measurements show that water exposure causes surface modification and alters the alkali metal distribution, while no composition or structural effect was observed. Deep level transient and optical spectroscopies revealed that the trap densities (N $_T$ ) for both the E $_V$ + 0.65 eV and E $_V$ + 0.98 eV traps increase after water exposure, while the majority carrier concentration (N $_A$ ) decreases. Time-resolved photoluminescence (PL) and steady-state PL measurements indicated the presence of static, not dynamic, quenching. Reduction of open-circuit voltage (V $_OC$ ) and fill factor (FF) was observed for the devices but was not associated with a change of recombination mechanism, which remains in the absorber space charge region. A small increase in series resistance and shunt conductance accounts for most of the FF change, while the modification in both N $_A$ and N $_T$ yield most of the change in V $_OC$ . A gradient of majority carrier concentration, related to the alkali profile, also yields a small voltage-dependent current collection after moisture and heat treatment.

Preliminary studies of instabilities and degradation due to moisture ingress into the molybdenum (Mo) back contact and its impact on the performance of Cu(In,Ga)Se ₂ solar cells are presented. The samples along with reference devices were characterized to obtain an outline of the deteriorating effect. Overall, the resistivity and surface roughness of the Mo layer increased with exposure to humidity and has a significant impact on the device performance.

The effect of water ingress on the surface of the buffer layer of a Cu(In, Ga)Se2 (CIGS) solar cell was studied. Such degradation can occur either during the fabrication process, if it involves a chemical bath as is often the case for CdS, or while the modules are in the field and encapsulants degrade. To simulate the impact of this moisture ingress, devices with a structure sodalime glass/Mo/CIGS/CdS were immersed in deionized water. The thin films were then analyzed both pre and post water soaking. Dynamic secondary ion mass spectroscopy (SIMS) was performed on completed devices to analyze impurity diffusion (predominantly sodium and potassium) and to assess potential degradation mechanisms. The results were compared to device measurements, which indicate a degradation of all device parameters due to an increase in the total and peak trap densities, as shown by simulation. This is potentially due to a modification of the sodium profile in the bulk CIGS, with a decrease content after water soaking or because the oxygen profile increased in the bulk CIGS after water soaking.

In this work, the diffusion process of sodium (Na) in molybdenum (Mo) thin films while it was deposited on soda lime glass (SLG) was studied. A small amount of oxygen was present in the chamber while the direct-current (DC) magnetron sputtering was used for the deposition. The substrate temperatures were varied to observe its effect. Such molybdenum films, with or without oxidations, are often used in thin film solar cells, either as back contact or as hole transport layers. Secondary ion mass spectrometry (SIMS) was used to quantify the concentration of the species. A grain diffusion mechanistic model incorporating the effect of grain and grain boundary geometrical shape and size was developed. The model was used to provide an in-depth theoretical analysis of the sodium diffusion in molybdenum thin films that lead to the measured SIMS data. It was observed that not only diffusion coefficients should be considered when analyzing diffusion processes in thin films but also the ratio of grain boundary size to grain size. Both depend on substrate temperature and directly affect the amount of diffused species in the film. The data were analyzed under the light of the film growth speed versus diffusion front speed, the effect of oxygen content, and the effect of substrate temperature on the overall diffusion process. The temperature inversely affects the ratio of grain boundary size and grain size and directly affects the diffusion coefficient, which leads to a preferable temperature at which the highest amount of alkali can be found in the film.

A robust, reproducible method for the extraction of relative bandgap trends from scanning transmission electron microscopy (STEM) based electron energy-loss spectroscopy (EELS) is described. The effectiveness of the approach is demonstrated by profiling the bandgap through a CuIn_1-xGa_xSe₂ solar cell that possesses intentional Ga/(In + Ga) composition variation. The EELS-determined bandgap profile is compared to the nominal profile calculated from compositional data collected via STEM-based energy dispersive X-ray spectroscopy. The EELS based profile is found to closely track the calculated bandgap trends, with only a small, fixed offset difference. This method, which is particularly advantageous for relatively narrow bandgap materials and/or STEM systems with modest resolution capabilities (i.e., >100 meV), compromises absolute accuracy to provide a straightforward route for the correlation of local electronic structure trends with nanoscale chemical and physical structure/microstructure within semiconductor materials and devices.