N²,N²,N⁸,N⁸‐tetrakis(4‐(methylthio)phenyl)dibenzo[b,d]thiophene‐2,8‐diamine (DBTMT) is synthesized from three commercial monomers for application as a promising dopant‐free hole‐transport material (HTM) in perovskite solar cells (pero‐SCs). The intrinsic properties (optical properties and electronic energy levels) of DBTMT are investigated, proving that DBTMT is a suitable HTM for the planar p–i–n pero‐SCs. The champion power conversion efficiency (PCE) of the optimized pero‐SCs (with structure as ITO/pristine DBTMT/MAPbI₃/C₆₀/BCP/Ag) reaches 21.12% with a fill factor (FF) of 83.25%, which is among the highest PCEs and FFs reported for planar p–i–n pero‐SCs based on dopant‐free HTMs. The Fourier‐transform infrared spectroscopy, X‐ray diffraction, and X‐ray photoelectron spectroscopy spectra of MAPbI₃ and DBTMT–MAPbI₃ films demonstrate that there is an interaction between DBTMT and MAPbI₃ at the interface through the sulfur atoms in DBTMT to passivate the defects, which is corresponding to the higher FF and PCE of the corresponding device.

中文翻译：

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具有钝化作用的二苯并[b，d]噻吩类空穴传输材料，可实现填充比为83％的高效平面p–i–n钙钛矿太阳能电池

N ²，N ²，N ⁸，N ^8-四（4-（甲硫基）苯基）二苯并[ b，d ]噻吩-2,8-二胺（DBTMT）由三种商业单体合成而成，可作为有前途的掺杂剂应用-钙钛矿太阳能电池（pero-SCs）中的自由空穴传输材料（HTM）。研究了DBTMT的内在性质（光学性质和电子能级），证明DBTMT是适用于平面p–i–n pero-SCs的HTM。优化的pero-SC（结构为ITO /原始DBTMT / MAPbI ₃ / C _60）的卓越功率转换效率（PCE）/ BCP / Ag）达到21.12％，填充因子（FF）为83.25％，这是基于无掺杂HTM的平面p–n–peroSC报道的最高PCE和FF之一。MAPbI ₃和DBTMT–MAPbI ₃膜的傅立叶变换红外光谱，X射线衍射和X射线光电子能谱表明，DBTMT和MAPbI ₃之间的相互作用通过DBTMT中的硫原子钝化而在界面处发生。缺陷，其对应于相应器件的较高FF和PCE。