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Due to their exceptional optoelectronic properties, halide perovskites have emerged as prominent materials for the light-absorbing layer in various optoelectronic devices. However, to increase device performance for wider adoption, it is essential to find innovative solutions. One promising solution is incorporating carbon nanotubes (CNTs), which have shown remarkable versatility and efficacy. In these devices, CNTs serve multiple functions, including providing conducting substrates and electrodes and improving charge extraction and transport. The next iteration of photovoltaic devices, metal halide perovskite solar cells (PSCs), holds immense promise. Despite significant progress, achieving optimal efficiency, stability, and affordability simultaneously remains a challenge, and overcoming these obstacles requires the development of novel materials known as CNTs, which, owing to their remarkable electrical, optical, and mechanical properties, have garnered considerable attention as potential materials for highly efficient PSCs. Incorporating CNTs into perovskite solar cells offers versatility, enabling improvements in device performance and longevity while catering to diverse applications. This article provides an in-depth exploration of recent advancements in carbon nanotube technology and its integration into perovskite solar cells, serving as transparent conductive electrodes, charge transporters, interlayers, hole-transporting materials, and back electrodes. Additionally, we highlighted key challenges and offered insights for future enhancements in perovskite solar cells leveraging CNTs. [ABSTRACT FROM AUTHOR]

• A triple-cation coupled with multi-halide perovskite-based solar cells (PSCs) were studied. • Post-growth passivation using formamidinium bromide (FABr) corrects phase problems and improves performance. • A numerical analysis compares FABr-passivated and unpassivated PSCs, assessing several parameters. • FABr passivation reduces the recombination rate by approximately 32%. • FABr treatment boosts power conversion efficiency (PCE) to 24.62% from 22.25%. In order to preserve the effectual potential of triple-cation coupled with multi-halide perovskites (PVTs), the phase-related conflict amongst different precursors has to be resolved. There arises the necessity of post-growth passivation treatments, especially using formamidinium bromide (FABr) upon such PVT films. In this research, a methodical comparison assessment is performed on triple-cation, multi-halide (CsFAMAPbIBr)-based PVT solar cells (PSCs) with and without FABr passivation using numerical study. A meticulous estimation of all the performance parameters of both PSCs was implemented in accordance with transformations in thickness, effective density, and acceptor density of the PVT absorber layer together with the charge transport layer thickness variations. The investigation revealed that the charge carrier generation rate remained the same after FABr passivation, however, the recombination rate was lowered by ∼ 32 % (from 7.27 × 1021 to 4.92 × 1021 cm-3s−1). The analysis discerned that at minimum valence band effective density of PVT absorber: 1 × 1017 cm−3, FABr-treated CsFAMAPbIBr-based PSC ensures the highest power conversion efficiency of 24.62 % against its un-passivated correspondent of 22.25 %. Further, this investigation imparts the remarkableness of FABr passivation treatment in regulating the overall performance of triple-cation and multi-halide-based PSCs. [ABSTRACT FROM AUTHOR]

[Display omitted] • Double perovskites are more stable, cheap, and suitable materials for solar cells. • The large value of efficiency of conversion light energy into electrical energy. • The absorption bands of light energy exist visible to infrared region. • The large figure of merit at room temperature and ultralow lattice thermal conductivity. Double perovskites are emerging materials for solar cell and thermoelectric applications due to their environmentally friendly nature, high stability, and excellent functioning. In the current article, electronic, mechanical, optical, and transport analysis of K 2 NaTlX 6 (X = Cl, Br, I) have been investigated systematically by first principles approach. The structural strength has been evaluated by tolerance factor and thermodynamic stability has been evaluated by the calculation of formation energy. The elastic constants illustrate mechanical stability, ductile nature, and thermodynamic behavior. The band gaps change from 3.33 eV to 2.00 eV, and to 0.54 eV upon changing the halogens from Cl to Br to I, respectively. Therefore, change in absorption bands from ultraviolet to visible or infrared regime suggests that K 2 NaTlX 6 double perovskites can have diverse energy conversion applications. The first absorption band of K 2 NaTlBr 6 in visible range has significant for solar cells. In addition, thermoelectric performance has been explained using the computed figure of merit. The large Seebeck coefficient, and electrical conductivity with ultralow lattice thermal conductivity enhanced ZT which reveals suitability for energy application. [ABSTRACT FROM AUTHOR]

The double perovskites (DPs) are extensively explored materials owing to their potential for optoelectronic and thermoelectric devices. In current report, the density functional theory-based Wien2k code is utilized to check the electrical, mechanical, optical, and thermoelectric characteristics of Cs 2 XInI 6 (X ​= ​Li, Na). The calculation of enthalpy of formation yields information about the thermodynamic stability, while computing the tolerance factor yields information about the structural durability. Elastic constant dependent, moduli of elasticity have been computed which confirm the ductile nature of Cs 2 LiInI 6 and brittle nature of Cs 2 NaInI 6. Utilizing modified Beck and Johnson potential (TB-mBJ) to measure the band structures and optical characteristics reveals the bandgaps of 1.23, and 1.64 ​eV for Li and Na-based DPs, respectively. Additionally, the optical behavior is elaborated by computing refractive index, dielectric constant and reflectivity. The broad absorption bands in visible range increases their potential for solar cells. BoltzTrap code is utilized to compute temperature-dependent transport parameters. The capability of these DPs for thermoelectric applications is determined by figure of merit in the range of 200–800 ​K. (a) Absorption of light energy (b) Figure of merit. [Display omitted] • Double perovskites are more stable, cheap, and suitable materials for solar cells. • The maximum conversion efficiency of light energy into electrical energy. • The absorption of light falls in the visible to ultraviolet region. • The double perovskites have high figure of merit because of large Seebeck coefficient. • The ultralow lattice thermal conductivity, thermodynamic stability, and large melting temperature. [ABSTRACT FROM AUTHOR]