RESUMEN
Several theoretical studies at different levels of theory have attempted to calculate the absolute position of the SnO2 conduction band, whose knowledge is key for its effective application in optoelectronic devices such us, for example, perovskite solar cells. However, the predicted band edges fall outside the experimentally measured range. In this work, we introduce a computational scheme designed to calculate the conduction band minimum values of SnO2, yielding results aligned with experiments. Our analysis points out the fundamental role of encompassing surface oxygen vacancies to properly describe the electronic profile of this material. We explore the impact of both bridge and in-plane oxygen vacancy defects on the structural and electronic properties of SnO2, explaining from an atomistic perspective the experimental observables. The results underscore the importance of simulating both types of defects to accurately predict SnO2 features and provide new fundamental insights that can guide future studies concerning design and optimization of SnO2-based materials and functional interfaces.
RESUMEN
The integration of photovoltaic technologies within the agricultural framework, known as agrivoltaics, emerges as a promising and sustainable solution to meet the growing global demands for energy and food production. This innovative technology enables the simultaneous utilization of sunlight for both photovoltaics (PV) and photosynthesis. A key challenge in agrivoltaic research involves identifying technologies applicable to a wide range of plant species and diverse geographic regions. To address this challenge, we adopt a multi-experimental and multi-species approach to assess the viability of semi-transparent, spectrally selective thin-film silicon PV technology. Our findings demonstrate compatibility with crop production in controlled environments for both plants and algae. Notably, selective thin-film PV exhibits the potential to enhance crop yields and serves as a photo-protectant. We observe that plant and algal growth increases beneath the selective PV film when supplemented with appropriate diffuse light in the growth environment. Conversely, in situations where light intensity exceeds optimal levels for plant growth, the selective PV film provides a photo-protective effect. These results suggest potential supplementary benefits of employing this technology in regions characterized by excessive light irradiation, where it can contribute to healthy plant growth.
RESUMEN
Alkali halides are simple inorganic compounds extensively used as surface modifiers in optoelectronic devices. In perovskite solar cells (PSCs), they act as interlayers between the light absorber material and the charge selective layers improving their contact quality. They introduce surface dipoles that enable the fine tuning of the relative band alignment and passivate surface defects, a well-known drawback of hybrid organic-inorganic perovskites, that is responsible for most of the issues hampering the long-term performances. Reducing the thickness of such salt-based insulating layer might be beneficial in terms of charge transfer between the perovskite and the electron/hole transport layers. In this context, here we apply density functional theory (DFT) to characterize the structure and the electronic features of atom-thin layers of NaCl adsorbed on the methylammonium lead iodide (MAPI) perovskite. We analyze two different models of MAPI surface terminations and find unexpected structural reconstructions arising at the interface. Unexpectedly, we find an exotic honeycomb-like structuring of the salt, also recently observed in experiments on a diamond substrate. We also investigate how the salt affects the perovskite electronic properties that are key to control the charge dynamics at the interface. Moreover, we also assess the salt ability to improve the defect tolerance of the perovskite surface. With these results, we derive new hints regarding the potential benefits of using an atom-thin layer of alkali halides in PSCs.
RESUMEN
Controlling the crystallization of perovskite in a thin film is essential in making solar cells. Processing tin-based perovskite films from solution is challenging because of the uncontrollable faster crystallization of tin than the most used lead perovskite. The best performing devices are prepared by depositing perovskite from dimethyl sulfoxide because it slows down the assembly of the tin-iodine network that forms perovskite. However, while dimethyl sulfoxide seems the best solution to control the crystallization, it oxidizes tin during processing. This work demonstrates that 4-(tert-butyl) pyridine can replace dimethyl sulfoxide to control the crystallization without oxidizing tin. We show that tin perovskite films deposited from pyridine have a 1 order of magnitude lower defect density, which promotes charge mobility and photovoltaic performance.
RESUMEN
This paper reports a simple and economical method for the fabrication of nanopatterned optical fiber nanotips. The proposed patterning approach relies on the use of the nanosphere lithography of the optical fiber end facet. Polystyrene (PS) nanospheres are initially self-assembled in a hexagonal array on the surface of water. The created pattern is then transferred onto an optical fiber tip (OFT). The PS monolayer colloidal crystal on the OFT is the basic building block that is used to obtain different periodic structures by applying further treatment to the fiber, such as metal coating, nanosphere size reduction and sphere removal. Ordered dielectric and metallo-dielectric sphere arrays, metallic nanoisland arrays and hole-patterned metallic films with feature sizes down to the submicron scale are achievable using this approach. Furthermore, the sizes and shapes of these periodic structures can be tailored by altering the fabrication conditions. The results indicate that the proposed self-assembly approach is a valuable route for the development of highly repeatable metallo-dielectric periodic patterns on OFTs with a high degree of order and low fabrication cost. The method can be easily extended to simultaneously produce multiple fibers, opening a new route to the development of fiber-optic nanoprobes. Finally, we demonstrate the effective application of the patterned OFTs as surface-enhanced Raman spectroscopy nanoprobes.