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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