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Interfacial trap-assisted non-radiative recombination and residual stress impede the further increase of power conversion efficiency (PCE) and stability of the methylammonium-free (MA-free) perovskite solar cells (PSCs). Here, we report an interfacial defect passivation and stress release strategy through employing the multi-active-site Lewis base ligand (i.e., (5-mercapto-1,3,4-thiadiazol-2-ylthio)­acetic acid (MTDAA)) to modify the surface and grain boundaries (GBs) of MA-free perovskite films. Both experimental and theoretical results confirm strong chemical interactions between multiple active sites in the MTDAA molecule and undercoordinated Pb2+ at the surface or GBs of perovskite films. It is demonstrated theoretically that multi-active-site adsorption is more favorable thermodynamically as compared to single-active-site adsorption, regardless of PbI2 termination and formamidinium iodide (FAI) termination types. MTDAA modification results in much reduced defect density, increased carrier lifetime, and almost thoroughly released interfacial residual stress. Upon MTDAA passivation, the PCE is boosted from 20.26% to 21.92%. The unencapsulated device modified by MTDAA maintains 99% of its initial PCE after aging under the relative humidity range of 10–20% for 1776 h, and 91% after aging at 60 °C for 1032 h.

Bulk and interfacial nonradiative recombination hinders the further enhancement of power conversion efficiency (PCE) and stability of SnO2-based planar perovskite solar cells (PSCs). To date, it is still a huge...

The Principle of Maximum Conformality (PMC) eliminates QCD renormalization scale-setting uncertainties using fundamental renormalization group methods. The resulting scale-fixed pQCD predictions are independent of the choice of renormalization scheme and show rapid convergence. The coefficients of the scale-fixed couplings are identical to the corresponding conformal series with zero β-function. Two all-orders methods for systematically implementing the PMC-scale setting procedure for existing high order calculations are discussed in this article. One implementation is based on the PMC-BLM correspondence (PMC-I); the other, more recent, method (PMC-II) uses the R δ -scheme, a systematic generalization of the minimal subtraction renormalization scheme. Both approaches satisfy all of the principles of the renormalization group and lead to scale-fixed and scheme-independent predictions at each finite order. In this work, we show that PMC-I and PMC-II scale-setting methods are in practice equivalent to each other. We illustrate this equivalence for the four-loop calculations of the annihilation ratio R e + e − and the Higgs partial width Γ(H → bb). Both methods lead to the same resummed ('conformal') series up to all orders. The small scale differences between the two approaches are reduced as additional renormalization group {βi}-terms in the pQCD expansion are taken into account. We also show that special degeneracy relations, which underly the equivalence of the two PMC approaches and the resulting conformal features of the pQCD series, are in fact general properties of non-Abelian gauge theory.

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Dion-Jacobson (DJ) quasi-2D perovskite solar cells (PSCs) have received increasing attention due to their greater potentials in realizing efficient and stable quasi-2D PSCs relative to their Ruddlesden–Popper counterpart. The substitution of methylammonium (MA+) with formamidinium is expected to be able to further increase the stability and power conversion efficiency (PCE) of DJ quasi-2D PSCs. Herein, we report a multifunctional additive strategy for preparing high-quality MA-free DJ quasi-2D perovskite films, where 1,1′-carbonyldi­(1,2,4-triazole) (CDTA) molecules are incorporated into the perovskite precursor solution. CDTA modification can control phase distribution, enlarge grain size, modulate crystallinity and crystal orientation, and passivate defects. After CDTA modification, more favorable gradient phase distribution and accordingly gradient band alignment are formed, which is conducive to carrier transport and extraction. The improved crystal orientation can facilitate carrier transport and collection. The enlarged grain size and effective defect passivation contribute to reduced defect density. As a result, the CDTA-modified device delivers a PCE of 16.07%, which is one of the highest PCEs ever reported for MA-free DJ quasi-2D PSCs. The unencapsulated device with CDTA maintains 92% of its initial PCE after aging under one sun illumination for 360 h and 86% after aging at 60 °C for 360 h.

Organic–inorganic metal halide perovskite (OMHP) has become one of the most important optoelectronic materials due to its electronic transport properties and excellent machinability. The efficiency of OMHP solar cells has risen rapidly from 3.81% to more than 20% in the past seven years, which has almost approached the theoretical value. Despite the continuous and in‐depth researches by scientists, it has been difficult to prepare new materials for OMHP devices with high performances. According to literature reported, OMHP solar cells can get remarkable performances depending on not only the mesoscopic structure but also the planar structure. Besides that, the morphology of OMHP film has been considered as the most important impact for high device performances. And the film morphology of OMHP can be affected by many factors including deposition method, material components, additives, post‐treatment process, and so on. The corresponding researches and reports appear constantly, which will be summarized and discussed in detail in this review. It can be concluded that the continuous, uniform growth and dense perovskite crystals in the OMHP film are the key factors for the preparation of high performance OMHP devices.

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