Department of Materials Science and Engineering, University of Washington , Seattle, Washington 98195, United States.
J Am Chem Soc. 2016 Sep 14;138(36):11833-9. doi: 10.1021/jacs.6b06291. Epub 2016 Aug 31.
In this paper, an electron donor-acceptor (D-A) substituted dipolar chromophore (BTPA-TCNE) is developed to serve as an efficient dopant-free hole-transporting material (HTM) for perovskite solar cells (PVSCs). BTPA-TCNE is synthesized via a simple reaction between a triphenylamine-based Michler's base and tetracyanoethylene. This chromophore possesses a zwitterionic resonance structure in the ground state, as evidenced by X-ray crystallography and transient absorption spectroscopies. Moreover, BTPA-TCNE shows an antiparallel molecular packing (i.e., centrosymmetric dimers) in its crystalline state, which cancels out its overall molecular dipole moment to facilitate charge transport. As a result, BTPA-TCNE can be employed as an effective dopant-free HTM to realize an efficient (PCE ≈ 17.0%) PVSC in the conventional n-i-p configuration, outperforming the control device with doped spiro-OMeTAD HTM.
在本文中，我们开发了一种电子给体-受体（D-A）取代的偶极生色团（BTPA-TCNE），用作高效的无掺杂空穴传输材料（HTM）用于钙钛矿太阳能电池（PVSCs）。BTPA-TCNE 通过基于三苯胺的米歇儿酮与四氰乙烯之间的简单反应合成。该生色团在基态下具有两性离子共振结构，这一点通过 X 射线晶体学和瞬态吸收光谱得到了证明。此外，BTPA-TCNE 在其晶体状态下表现出反平行的分子堆积（即，中心对称二聚体），这抵消了其整体分子偶极矩，从而促进了电荷传输。因此，BTPA-TCNE 可用作有效的无掺杂 HTM，以实现传统 n-i-p 结构中高效的（PCE≈17.0%）PVSC，优于使用掺杂 spiro-OMeTAD HTM 的对照器件。
