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Two new indoline-based D-A-π-A dyes, D3F and D3F2 (see Scheme 1), are developed on the basis of the reported D3 by insertion of one or two F atoms on benzothiadiazole group. Our central aim is to explore high-efficiency organic dyes applied in dye-sensitized solar cells by inclusion of a simple group rather than by employment of new complicated groups. The performance of two new designed organic dyes, D3F and D3F2 , is compared with that of D3 from various aspects including absorption spectrum, light harvesting efficiency, driving force, and open-circuit voltage. Besides the isolated dye, the interfacial property between dye and TiO 2 surface is studied. D3F and D3F2 do not show absolute superiority than D3 not only for the isolated dyes but also for the monomeric adsorption system. However, D3F and D3F2 would effectively reduce the influence of aggregation resulting in the much smaller intermolecular electronic coupling. Although the aggregation has attracted much attention recently, it is studied alone in most of studies. To comprehensively evaluate the performance of dye-sensitized solar cells, it is necessary to consider aggregation along with electron injection time from dye into TiO 2 rather than only static items, such as, band gap and absorption region. [ABSTRACT FROM AUTHOR]

Interfacial properties between passivation molecules and perovskite surface determine passivation effects on the performance and stability of perovskite solar cells. [Display omitted] • Passivation effect is related to binding strength and probability. • Strong polarity of 2-MP enhances charge separation and adsorption capacity. • 2-MP passivation improves carrier transfer capability. • 2-MP passivation leads to large bandgap. • AIMD simulations reveal water blocking effects of 2-MP, Py, and PTT. Chemical passivation implemented by Lewis base has been demonstrated as an effective method to overcome the water vulnerability of perovskite solar cells (PSCs) along with better performance. Comprehensive understanding of the surface passivation effects is crucial to future improve the PSCs efficiency and stability. Herein, we utilized first-principles to simulate the structure and electronic properties of the passivated perovskite, and carried out ab initio molecular dynamics (AIMD) to understand the effectiveness of the experimental passivation molecules, 2-MP , Py , and PTT , on the classical perovskite (Zhu et al., 2019). Calculations show that introducing both -SH and the N atom of 2-MP enhances the electric dipole moment, the binding strength, the adsorption probability and the carrier transfer rate compared to these of Py and PTT. Moreover, the efficient separation of electrons and holes at the interface and the large bandgap can be achieved by the 2-MP treatment, which is beneficial to improve the photovoltaic performance. AIMD simulations indicate that the interactions of N⋯Pb, S⋯Pb, and H⋯I between 2-MP and the MAPbI 3 surface lead to a stronger passivation effect than that of Py and PTT , which is in agreement with the experimental observations. Our results are expected to provide new ideas for developing more distinguished passivation molecules to endow the PSCs stability against water. [ABSTRACT FROM AUTHOR]

In this paper, we demonstrated a simple micro-ball lens array (MBLA) fabrication method using a drop-on-demand (DOD) droplet printing technique and liquid mold. The micro-ball droplet array on the hydrophobic surface is used as the liquid mold to fabricate the MBLA. The ultrahigh adhesion force between the micro-ball droplet and the substrate is ascribed to the Wenzel state of the micro-ball droplet, while the replication process with low position error is attributed to the ultrahigh adhesion force between the micro-ball droplet and the substrate and the high viscosity of the micro-ball droplet and polydimethylsiloxane (PDMS) liquid. The micro-ball lenses (MBLs) with a contact angle of 120° and 150° were fabricated and the important fabrication details were discussed. The optical performance and scanning electron microscope (SEM) data of the MBLs showed that the MBLs had high quality surface morphology and good optical performance. [ABSTRACT FROM AUTHOR]