We report two new molecularly engineered push-pull dyes, i.e., YA421 and YA422, based on substituted quinoxaline as a π-conjugating linker and bulky-indoline moiety as donor and compared with reported IQ4 dye. Benefitting from increased steric hindrance with the introduction of bis(2,4-dihexyloxy)benzene substitution on the quinoxaline, the electron recombination between redox electrolyte and the TiO2 surface is reduced, especially in redox electrolyte employing Co(II/III) complexes as redox shuttles. It was found that the open circuit photovoltages of IQ4, YA421, and YA422 devices with cobalt-based electrolyte are higher than those with iodide/triiodide electrolyte by 34, 62, and 135 mV, respectively. Moreover, the cells employing graphene nanoplatelets on top of gold spattered film as a counter electrode (CE) show lower charge-transfer resistance compared to platinum as a CE. Consequently, YA422 devices deliver the best power conversion efficiency due to higher fill factor, reaching 10.65% at AM 1.5 simulated sunlight. Electrochemical impedance spectroscopy and transient absorption spectroscopy analysis were performed to understand the electrolyte influence on the device performances with different counter electrode materials and donor structures of donor-π-acceptor dyes. Laser flash photolysis experiments indicate that even though the dye regeneration of YA422 is slower than that of the other two dyes, the slower back electron transfer of YA422 contributes to the higher device performance.

Stabilizing high-efficiency perovskite solar cells (PSCs) at operating conditions remains an unresolved issue hampering its large-scale commercial deployment. Here, we report a star-shaped polymer to improve charge transport and inhibit ion migration at the perovskite interface. The incorporation of multiple chemical anchor sites in the star-shaped polymer branches strongly controls the crystallization of perovskite film with lower trap density and higher carrier mobility and thus inhibits the nonradiative recombination and reduces the charge-transport loss. Consequently, the modified inverted PSCs show an optimal power conversion efficiency of 22.1% and a very high fill factor (FF) of 0.862, corresponding to 95.4% of the Shockley-Queisser limited FF (0.904) of PSCs with a 1.59-eV bandgap. The modified devices exhibit excellent long-term operational and thermal stability at the maximum power point for 1000 hours at 45°C under continuous one-sun illumination without any significant loss of efficiency.

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The inferior power conversion efficiency (PCE) compared to their regular counterparts (n-i-p) and undesirable stability issues of inverted (p-i-n) perovskite solar cells (PSCs) are the foremost issues hindering their commercialization....

Interfaces in Sb2S3 thin-film solar cells strongly affect their open-circuit voltage (V OC) and power conversion efficiency (PCE). Finding an effective method of reducing the defects is a promising approach for increasing the V OC and PCE. Herein, the use of an inorganic salt SbCl3 is reported for post-treatment on Sb2S3 films for surface passivation. It is found that a thin SbCl3 layer could form on the Sb2S3 surface and produce higher efficiency cells by reducing the defects and suppressing nonradiative recombination. Through density functional theory calculations, it is found that the passivation of the Sb2S3 surface by SbCl3 occurs via the interactions of Sb and Cl in SbCl3 molecules with S and Sb in Sb2S3, respectively. As a result, incorporating the SbCl3 layer highly improves the V OC from 0.58 to 0.72 V; an average PCE of 6.9 ± 0.1% and a highest PCE of 7.1% are obtained with an area of 0.1 cm2. The achieved PCE is the highest value in the Sb2S3 planar solar cells. In addition, the incorporated SbCl3 layer also leads to good stability of Sb2S3 devices, by which 90% of the initial performance is maintained for 1080 h of storage under ambient humidity (85 ± 5% relative humidity) at room temperature.

Metal halide perovskites have attracted rapid development and great attention mainly due to its excellent optoelectronic properties. Currently, the efficiency of inverted (p-i-n) PSCs are around 23%, which catch up...

A series of new pyrido [3,4-b]pyrazine-based organic sensitizers (PP-I and APP-I-IV) containing different donors and p-spacers have been synthesized and employed in dye-sensitized solar cells (DSSCs). The absorption spectra properties of dyes are analysed by density functional theory (DFT). The calculated results in combination with the experiments suggest that the absorption characteristics and excited state features will mainly be dominated by charge transfer transitions from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO) and to higher LUMO orbitals.Furthermore, attaching the octyloxy groups significantly extends the p-conjugation of the donor in APP-IV, which raises the HOMO energy and facilitates its oxidation. As a consequence, APP-IV exhibits the lowest HOMO-LUMO energy gap among all dyes, which, in turn, corresponds well with the red shift of the absorption spectra. Transient photovoltage and photocurrent decay experiments as well as electrochemical impedance spectroscopy indicate that the electron lifetime and charge recombination resistance are increased due to the introduction of octyloxy chains on the donor unit, resulting in the high photovoltage based on APP-IV. It was found that APP-IV based DSSCs with liquid electrolyte display the highest power conversion efficiency (PCE) of 7.12%. Importantly, a PCE of 6.20% has been achieved for APP-IV based DSSCs with ionic-liquid electrolytes and retained 97% of the initial value after continuous light soaking for 1000 h at 60 C. This renders these pyrido [3,4-b]pyrazine-based sensitizers quite promising candidates for highly efficient and stable DSSCs.

The performance enhancement of inverted perovskite solar cells applying nickel oxide (NiOx) as the hole transport layer (HTL) has been limited by impurity ions (such as nitrate ions). Herein, we have proposed a strategy to obtain high‐quality NiOx nanoparticles via an ionic liquid‐assisted synthesis method (NiOx‐IL). Experimental and theoretical results illustrate that the cation of the ionic liquid can inhibit the adsorption of impurity ions on nickel hydroxide through a strong hydrogen bond and low adsorption energy, thereby obtaining NiOx‐IL HTL with high conductivity and strong hole‐extraction ability. Importantly, the removal of impurity ions can effectively suppress the redox reaction between the NiOx film and the perovskite film, thus slowing down the deterioration of device performance. Consequently, the modified inverted device shows a striking efficiency exceeding 22.62 %, and superior stability maintaining 92 % efficiency at a maximum power point tracking under one sun illumination for 1000 h.