This study presents a comprehensive analysis of the optical and electronic properties of thin films of molybdenum oxide and tungsten oxide to implement hole-selective contact for heterojunction solar cells. These contacts are currently viewed as an alternative for the fabrication of doping-free solar cells. However, the spreading of this technology is still limited due to the development of S-shaped J-V curves, which affect the electrical performance of the cells, and further optimization in the material deposition process is therefore crucial to overcome these challenges. To improve transition metal oxide-based heterojunction technology, this work investigates the impact of oxygen vacancies on electrical performance, particularly their role in S-shaped J-V curves. Defect density evaluation through nondestructive techniques like photothermal deflection spectroscopy together with a detailed experimental characterization is presented in this paper to highlight the structural and optical properties of the films. Prototypes of solar cells incorporating hole-selective contacts with tungsten and molybdenum oxide are prepared to show S-shaped J-V characteristics under AM 1.5 illumination. An equivalent circuit modeling was used for understanding the electrical characteristics of the prototypes. Furthermore, this approach offers insights into the optimization of the performances of devices.

Ref. [56] was unfortunately wrong, Instead of [56] Corless, R. M.; Gonnet, G. H.; Hare, D. E. G.; Jeffrey, D. J.; Knuth, D. E. On the Lambert W function. Adv. Comput. Math. 1996, 5, 329–359. It should be changed to Biswas, R. K.; Khan, P.; Mukherjee, S.; Mukhopadhyay, A. K.; Ghosh, J.; Muraleedharan, K. Study of short range structure of amorphous Silica from PDF using Ag radiation in laboratory XRD system, RAMAN and NEXAFS. J. Non. Cryst. Solids 2018, 488, 1–9. Some entries in Table 2 were unfortunately misprinted.

The application of titanium dioxide (TiO₂) in the photovoltaic (PV) field is gaining traction as this material can be deployed in doping-free heterojunction solar cells with the role of electron selective contact. For modeling-based optimization of such contact, knowledge of the titanium oxide defect density of states (DOS) is crucial. In this paper, we report a method to extract the defect density through nondestructive optical measures, including the contribution given by small polaron optical transitions. The presence of both related to oxygen-vacancy defects and polarons is supported by the results of optical characterizations and the evaluation of previous observations resulting in a defect band fixed at 1 eV below the conduction band edge of the oxide. Solar cells employing pulsed laser deposited-TiO₂ electron selective contacts were fabricated and characterized. The J-V curve of these cells showed, however, an S-shape, then a detailed analysis of the reasons for such behavior was carried out. We use a model involving the series of a standard cell equivalent circuit with a Schottky junction in order to explain these atypical performances. A good matching between the experimental measurements and the adopted theoretical model was obtained. The extracted parameters are listed and analyzed to shed light on the reasons behind the low-performance cells. [Figure not available: see fulltext.]

Thin layers of MoO_x have been deposited by thermal evaporation followed by post-deposition annealing. The density of states distributions of the MoO_x films were extracted deconvoluting the absorption spectra, measured by a photothermal deflection spectroscopy setup, including the small polaron contribution. Results revealed a sub-band defect distribution centered 1.1 eV below the conduction band; the amplitude of this distribution was found to increase with post-deposition annealing temperature and film thickness.

The application of molybdenum oxide in the photovoltaic field is gaining traction as this material can be deployed in doping-free heterojunction solar cells in the role of hole selective contact. For modeling-based optimization of such contact, knowledge of the molybdenum oxide defect density of states (DOS) is crucial. In this paper, we report a method to extract the defect density through nondestructive optical measures, including the contribution given by small polaron optical transitions. The presence of defects related to oxygen-vacancy and of polaron is supported by the results of our opto-electrical characterizations along with the evaluation of previous observations. As part of the study, molybdenum oxide samples have been evaluated after post-deposition thermal treatments. Quantitative results are in agreement with the result of density functional theory showing the presence of a defect band fixed at 1.1 eV below the conduction band edge of the oxide. Moreover, the distribution of defects is affected by post-deposition treatment. [Figure not available: see fulltext.]

The use of transition metal oxides for the selective carrier contact in the crystalline silicon solar cells technology is rising to interest for the excellent optoelectrical properties of these materials whose implementation, however, can result in lousy performing cells due to an S-shaped electrical characteristic. In this paper, we fabricated solar cells showing S-shaped J-V curve and carried out an analysis of the reasons of such behavior using a model involving the series of a standard cell equivalent circuit with a Schottky junction in order to explain these atypical performances. A good matching between the experimental measurements and the adopted theoretical model was obtained. The extracted parameters are listed and analyzed to shade light on the reasons behind the low-performance cells.