The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion-Jacobson Perovskites with Aromatic Spacers

Structural, optoelectronic and supplementary characterization data for “The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion-Jacobson Perovskites with Aromatic Spacers”, doi.org/10.1021/acs.jpclett.1c02937. Figure 2.zip: 2a and 2b (XRD patterns) in *.csv files. 2c and 2d raw and processed solid state NMR spectra of (PDEA)PbI4 and (PDEA)I2, comprising 207Pb, 207Pb->1H HETCOR. NMR data is given in the JCAMP-DX 6.0 format including acquisition and processing parameters. The TopSpin software is recommended as this was used to record the NMR data. 2e-h GIWAXS images in *.tiff format Figure 3.zip: 3a and 3c (UV-Vis absorption spectra) in *.csv format 3b and 3d (PL emission) in *.xlsx data Figure 4.zip: Transient absorption spectroscopy data in *.xlsx format Figure 5.zip: 5a-f (XRD patterns) in *.csv data Figure S2.zip: S2a-b (UV-Vis spectra) in *.csv data S2c-d (XRD patterns) in *.csv data Figure S3.zip: GIWAXS images in *.tiff format Figure S4.zip: S4 Raw and processed solid state NMR spectra of 1H->13C cross polarisation spectra. NMR data is given in the JCAMP-DX 6.0 format including acquisition and processing parameters. The TopSpin software is recommended as this was used to record the NMR data. Figure S5-S6.zip: Raw and processed solution NMR spectra of (PDEA)I2 and (PDEA)Br2 in deuterated DMSO, comprising 1H and 13C 1D and 2D HSQC/HMBC spectra. NMR data is given in the JCAMP-DX 6.0 format including acquisition and processing parameters. The TopSpin software is recommended as this was used to record the NMR data. Figure S7.zip: PL emission data in *.xlsx format Figure S8.zip: Transient absorption spectroscopy data in *.xlsx format Figure S9.zip: S9a-f optical absorption data in *.csv format Figure S10.zip: PL emission data in *.xlsx format Figure S11.zip: *.png image of contact angle measurements

《带芳香间隔基的层状Dion-Jacobson钙钛矿中烷基链长度与卤化物抗衡离子的作用》一文的结构、光电子学及补充表征数据，DOI：10.1021/acs.jpclett.1c02937。
Figure 2.zip：其中2a、2b为X射线衍射（X-ray Diffraction, XRD）图谱，存储格式为*.csv；2c、2d为(PDEA)PbI4与(PDEA)I2的固态核磁共振（Nuclear Magnetic Resonance, NMR）原始与处理后谱图，涵盖207Pb、207Pb→1H异核相关（Heteronuclear Correlation, HETCOR）谱。NMR数据采用JCAMP-DX 6.0格式存储，包含采集与处理参数，推荐使用TopSpin软件进行数据分析，该软件即为本次NMR数据的采集工具。2e~2h为掠入射广角X射线散射（Grazing Incidence Wide-Angle X-ray Scattering, GIWAXS）图像，格式为*.tiff。
Figure 3.zip：3a、3c为紫外-可见（Ultraviolet-Visible, UV-Vis）吸收光谱，存储格式为*.csv；3b、3d为光致发光（Photoluminescence, PL）发射光谱，存储格式为*.xlsx。
Figure 4.zip：瞬态吸收光谱数据，存储格式为*.xlsx。
Figure 5.zip：5a~5f为XRD图谱，存储格式为*.csv。
Figure S2.zip：S2a、S2b为UV-Vis光谱，存储格式为*.csv；S2c、S2d为XRD图谱，存储格式为*.csv。
Figure S3.zip：GIWAXS图像，存储格式为*.tiff。
Figure S4.zip：S4为1H→13C交叉极化（Cross Polarisation, CP）固态NMR原始与处理后谱图。NMR数据采用JCAMP-DX 6.0格式存储，包含采集与处理参数，推荐使用TopSpin软件进行数据分析，该软件即为本次NMR数据的采集工具。
Figure S5~S6.zip：(PDEA)I2与(PDEA)Br2在氘代二甲亚砜（DMSO）中的溶液态NMR原始与处理后谱图，涵盖1H、13C一维及二维HSQC（Heteronuclear Single Quantum Coherence）、HMBC（Heteronuclear Multiple Bond Correlation）谱。NMR数据采用JCAMP-DX 6.0格式存储，包含采集与处理参数，推荐使用TopSpin软件进行数据分析，该软件即为本次NMR数据的采集工具。
Figure S7.zip：PL发射光谱数据，存储格式为*.xlsx。
Figure S8.zip：瞬态吸收光谱数据，存储格式为*.xlsx。
Figure S9.zip：S9a~9f为光学吸收光谱数据，存储格式为*.csv。
Figure S10.zip：PL发射光谱数据，存储格式为*.xlsx。
Figure S11.zip：接触角测量结果的*.png格式图像。

搜集汇总

背景与挑战

背景概述

该数据集提供了关于含芳香族间隔基的Dion-Jacobson型层状钙钛矿的研究数据，重点探讨烷基链长度和卤素抗衡离子对材料性能的影响。数据集包含XRD、NMR、GIWAXS、UV-Vis、PL和瞬态吸收光谱等多种表征数据，支持结构-性能关系分析。这些数据源自一篇已发表的期刊文章，旨在研究材料的环境稳定性和光电性质。