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The synthesis, characterization and incorporation of fullerene derivatives bearing primary, secondary and tertiary nitrogen atoms, which possess different basicities, in perovskite solar cells (PSCs), is reported. In this work, we tested the compounds as conventional electron transporting materials (ETMs) in a single layer with phenyl-C 61 -butyric acid methyl ester (PC 61 BM) as control. Additionally, we tested the idea of separating the ETM into two different layers: a thin electron extracting layer (EEL) at the interface with the perovskite, and an electron transporting layer (ETL) to transport the electrons to the Ag electrode. The compounds in this work were also tested as EELs with C 60 as ETL on top. Our results show that the new fullerenes perform better as EELs than as ETMs. A maximum power conversion efficiency (PCE) value of 18.88% was obtained for a device where a thin layer (∼3 nm) of BPy-C 60 was used as EEL, a higher value than that of the control device (16.70%) with only pure C 60 . Increasing the layer thicknesses led to dramatically decreased PCE values, clearly proving that the compound is an excellent electron extractor from the perovskite layer but a poor transporter as a bulk material. The improved passivation ability and electron extraction capabilities of the BPy-C 60 derivative were demonstrated by steady state and time-resolved photoluminescence (SS-and TRPL) as well as electrochemical impedance spectroscopy (EIS) and X-Ray photoelectron spectroscopy (XPS) measurements; likely attributed to the enhanced basicity of the pyridine groups that contributes to a stronger interaction with the interfacial Pb 2+ . 

In this work, two new C 70 isomers, α and β bis(2-(thiophen-2-yl)ethyl)-C 70 -fullerene mono-adducts (DTC 70 ), were synthesized, characterized and used as electron transporting materials (ETMs) in perovskite solar cells (PSCs). Our results show that the α isomer improves both the J sc and FF values of the devices, when compared to the results for the β-isomer and to those for phenyl-C 70 -butyric acid methyl ester ( PC71BM ), used as control. Devices based on α-DTC70 achieved a power conversion efficiency (PCE) of 15.9%, which is higher than that observed with PC71BM (15.1%). 

The synthesis, characterization, and incorporation of open-cage [60]fullerene derivatives as electron-transporting materials (ETMs) in perovskite solar cells (PSCs) with an inverted planar (p-i-n) structure is reported. Following optical and electrochemical characterization of the open-cage fullerenes 2a–c, p-i-n PSCs with a indium tin oxide (ITO)/poly(3,4-ethylenedioxythiophene)-polystyrene sulfonate (PEDOT:PSS)/perovskite/fullerene/Ag structure were prepared. The devices obtained from 2a–b exhibit competitive power conversion efficiencies (PCEs) and improved open-circuit voltage (Voc) values (>1.0 V) in comparison to a reference cell based on phenyl-C61-butyric-acid methyl-ester (PC61BM). These results are rationalized in terms of a) the higher passivation ability of the open-cage fullerenes with respect to the other fullerenes, and b) a good overlap between the highest occupied molecular orbital/lowest unoccupied molecular orbital (HOMO/LUMO) levels of 2a–b and the conduction band of the perovskite. 

Abstract Template‐assisted synthesis of well‐defined polynuclear clusters remains a challenge for [M₄] square planar topologies. Herein, we present a tetraamine scaffold^RL(NH₂)₄, where L is a rigidified resorcin[4]arene, to direct the formation ofC₄‐symmetric^RL(NH)₄Cu₄clusters with Cu−Cu distances around 2.7 Å, suggesting metal‐metal direct interactions are operative since the sum of copper's van der Waals radii is 2.8 Å. DFT calculations display HOMO to HOMO‐3 residing all within a 0.1 eV gap. These four orbitals display significant electron density contribution from the Cu centers suggesting a delocalized electronic structure. The one‐electron oxidized [Cu₄]⁺species was probed by variable temperature X‐band continuous wave‐electron paramagnetic resonance (CW‐EPR), which displays a multiline spectrum at room temperature. This work presents a novel synthetic strategy for [M₄] clusters and a new platform to investigate activation of small molecules. 

The synthesis and characterization of a family of [60]fullerocurcuminoids obtained via Bingel reactions is reported. The new C 60 derivatives include curcumin and curcuminoids with a variety of end groups. Preliminary biological experiments show the potential activity of the compound containing a curcumin addend, which exhibits moderate anti-HIV-1 and radical scavenger properties, but no anti-cancer activity. In addition, the new fullerocurcuminoids exhibit HOMO/LUMO energy levels that are reasonably matched with those of perovskites and when they were tested in perovskite solar cells (PSCs) as the electron transporting material (ETM), photoconversion efficiencies ranging from 14.04–14.95% were obtained, whereas a value of 16.23% was obtained for [6,6]-phenyl-C 61 -butyric acid methyl ester ( PC61BM ) based devices.