论文标题
甲基二核钙钛矿前体溶液中多核复合物的光学指纹
Optical Fingerprints of Polynuclear Complexes in Lead-Halide Perovskite Precursor Solutions
论文作者
论文摘要
铅卤化物钙钛矿（LHP）的前体溶液中的溶剂 - 溶剂相互作用严重影响了溶液处理的材料的质量，因为它们导致形成了多种多种多碘碳酸氢盐，这些多碘碳酸盐充当LHP的基础。在稀释的解决方案中通常期望[PBI $ _ {2+n} $] $^{n - } $复合物的形成，而在高浓度下进行的协调尚不清楚。 In a combined \textit{ab initio} and experimental work, we demonstrate that the optical spectra of the quasi-one-dimensional iodoplumbate complexes PbI$_2$(DMSO)$_4$, Pb$_2$I$_4$(DMSO)$_6$, and Pb$_3$I$_6$(DMSO)$_8$ formed in二甲基亚氧化二甲基溶液与以高浓度碘化铅测量的光谱指纹兼容。这一发现表明，在解释LHP前体溶液的光谱时，应考虑多核铅六卤化物配合物的形成。
Solvent-solute interactions in precursor solutions of lead halide perovskites (LHP) critically impact the quality of solution-processed materials, as they lead to the formation of a variety of poly-iodoplumbates that act as building blocks for LHP. The formation of [PbI$_{2+n}$]$^{n-}$ complexes is often expected in diluted solutions while coordination occurring at high concentrations is not well understood yet. In a combined \textit{ab initio} and experimental work, we demonstrate that the optical spectra of the quasi-one-dimensional iodoplumbate complexes PbI$_2$(DMSO)$_4$, Pb$_2$I$_4$(DMSO)$_6$, and Pb$_3$I$_6$(DMSO)$_8$ formed in dimethyl sulfoxide solutions are compatible with the spectral fingerprints measured at high concentrations of lead iodide. This finding suggests that the formation of polynuclear lead-halide complexes should be accounted for in the interpretation of optical spectra of LHP precursor solutions.
