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Three donor–π‐bridge–acceptor (D–π–A)‐type organic small molecules coded CI‐B1, CI‐B2, and CI‐B3 are designed, synthesized, and used as dopant‐free hole transporting materials (HTMs) for perovskite solar cells (PSCs). The strong electron‐donating triazatruxene central core (D), terthiophene conjugated arms (π), and three different strong electron‐accepting units (A) provide high intramolecular charge transfer nature and eliminate the need of dopants during the fabrication of PSCs. HTMs are investigated to understand the effect of terminal functional groups on the PSC performance. Interestingly, due to the change of end‐capping, three different organizations of self‐assembly with π–π stacking are observed in the solid thin films. Dopant‐free CI‐B1, CI‐B2, CI‐B3, and spiro‐OMeTAD with dopants are used with triple cation perovskite composition Cs0.1(MA0.15FA0.85)0.9Pb(I0.85Br0.15)3 (MA: CH3NH3+, FA: NHCHNH3+) in n‐i‐p architecture. The cells prepared with CI‐B3 not only exhibits a comparable power conversion efficiency (PCE) of 17.54% to the state‐of‐art of spiro‐OMeTAD with dopants (18.02%), but also demonstrates improved long‐term stability, maintaining 88% of its original PCE after 1000 h of illumination. The superior photovoltaic performance, synthetic simplicity, dopant‐free nature, high durability, and edge‐on molecular orientation of CI‐B3 show its great promise as a HTM candidate for efficient and stable PSCs. [ABSTRACT FROM AUTHOR]

The synthesis, characterization and photovoltaic performance of series of novel molecular hole transport materials (HTMs) based on bistricyclic aromatic enes (BAEs) are presented. The new derivatives were obtained following a simple and straightforward procedure from inexpensive starting reagents mimicking the synthetically challenging 9,9′-spirobifluorene moiety of the well-studied spiro-OMeTAD. The novel HTMs were tested in mixed cations and anions perovskite solar cells (PSCs) yielding a power conversion efficiency (PCE) of 19.2 % under standard global 100 mW cm−2 AM1.5G illumination using 9-{2,7-bis[bis(4-methoxyphenyl)amino]-9 H-fluoren-9-ylidene}- N2, N2, N7, N7-tetrakis(4-methoxyphenyl)-9 H-thioxanthene-2,7-diamine (coded as KR374). The power conversion efficiency data confirms the easily attainable heteromerous fluorenylidenethioxanthene structure as valuable core for low-cost and highly efficient HTM design and paves the way towards cost-effective PSC technology. [ABSTRACT FROM AUTHOR]

In this work we systematically investigated the role of reduced graphene oxide (rGO) in hybrid perovskite solar cells (PSCs). By mixing rGO within the mesoporous TiO2 (m-TiO2) matrix, highly efficient solar cells with power conversion efficiency values up to 19.54 % were realized. In addition, the boosted beneficial role of rGO with and without Li-treated m-TiO2 is highlighted, improving transport and injection of photoexcited electrons. This combined system may pave the way for further development and optimization of electron transport and collection in high efficiency PSCs. [ABSTRACT FROM AUTHOR]

Efficient hole-transporting materials (HTMs), TAZ-[MeOTPA]2 and TAZ-[MeOTPATh]2 incorporating two electron-rich diphenylamino side arms, through direct linkage or thiophen bridges, respectively, on the C3- and C5-positions of a 4-phenyl-1,2,4-triazole core were synthesized. These synthetic HTMs with donor-acceptor type molecular structures exhibited effective intramolecular charge transfer for improving the hole-transporting properties. The structural modification of HTMs by thiophene bridging might increase intermolecular π-π stacking in the solid state and afford a better spectral response because of their increased π-conjugation length. Perovskite-based cells using TAZ-[MeOTPA]2 and TAZ-[MeOTPATh]2 as HTMs afforded high power conversion efficiencies of 10.9 % and 14.4 %, respectively, showing a photovoltaic performance comparable to that obtained using spiro-OMeTAD. These synthetically simple and inexpensive HTMs hold promise for replacing the more expensive spiro-OMeTAD in high-efficiency perovskite solar cells. [ABSTRACT FROM AUTHOR]

Recently, perovskite solar cells have been in the spotlight due to several of their advantages. Among the components of PSCs, hole transporting materials (HTMs) re the most important factors for achieving high performance and a stable device. Here, we introduce a new D–π–D type hole transporting material incorporating Tips-anthracene as a π–conjugation part and dimethoxy-triphenylamine as a donor part (which can be easily synthesized using commercially available materials). Through the measurement of various optical properties, the new HTM not only has an appropriate energy level but also has excellent hole transport capability. The device with PEH-16 has a photovoltaic conversion efficiency of 17.1% under standard one sun illumination with negligible hysteresis, which can be compared to a device using Spiro_OMeTAD under the same conditions. Ambient stability for 1200 h shown that 98% of PEH-16 device from the initial PCE was retained, indicating that the devices had good long-term stability. [ABSTRACT FROM AUTHOR]

Recently, the 2D perovskite layer is employed as a capping/passivating layer in the perovskite solar cells (PSCs). The 2D perovskite layer is prepared by inserting a large-sized hydrophobic cation spacer into the perovskite crystal lattice. The large-sized cation in the 2D perovskite lattice can successfully suppress the moisture intrusion and hence improve the stability of the PSCs. However, a deep understanding of the interfacial mechanisms at the 2D/3D heterojunction and the relative contributions of the mobile ions and trapped charge carriers is still lacking. In this work, deep levels transient spectroscopy (DLTS) and reverse DLTS (RDLTS) have been performed to characterize the n-i-p structured 3D and 2D/3D PSCs. DLTS and RDLTS have been used to distinguish between the spectral contribution made by mobile ionic species, electron/hole traps, and to investigate the presence of ordinary deep electron and hole traps in the bandgap of perovskite. Besides, the PSCs have been characterized by photoinduced voltage transient spectroscopy (PIVTS) to study the decay of the open-circuit voltage (V OC) under illumination. For both 3D and 2D/3D PSCs, the contribution of mobile ions was found to be dominant; however, in the case of 2D/3D samples, the intensity of the mobile ions signal was several times lower. The lower intensity can be correlated with a lower amplitude of slow tails in V OC decay curves in 2D/3D solar cells as compared to 3D solar cells. The PIVTS study also endorses the 2D/3D structures as more robust than the 3D structures. • Performed DLTS and reverse DLTS measurements for the 3D and 2D/3D PSCs. • Results correlated with admittance spectroscopy analysis. • Determined the features attributable to mobile ions in PSCs. • Evaluated the performance of the PSCs at different temperatures with DLTS analysis. [ABSTRACT FROM AUTHOR]

Although 2D|3D has shown potential for application in multifunctional devices, the principle of operation for multifunction devices (SOLAR Cell‐LED: SOLED) has not yet been revealed. However, most studies have reported that the devices have only one auspicious characteristic. Here in this study the SOLED devices are monitored and investigated in a 2D|3D heterostructure with a multidimensional perovskite. It is fond that a 2D|3D heterostructure with a multidimensional perovskite interface induces carrier transmission from the interface, increasing the density of electrons and holes, and increasing their recombination. An interface‐engineered perovskite 2D|3D‐heterojunction structure is employed to realize the multifunctional photonic device in on‐chip, exhibiting overall power conversion efficiencies of photovoltaics up to 21.02% under AM1.5, and external quantum efficiency of the light‐emitting diode up to 5.13%. This novel phenomenon is attributed to carrier transfer resulting in a high carrier density and enhanced carrier recombination at the 2D|3D interface. [ABSTRACT FROM AUTHOR]