Guo Tirong, Fu Wen Tian, de Groot Huub J M
Leiden Institute of Chemistry, Leiden University, Einsteinweg 55, 2300 RA Leiden, The Netherlands.
Nanomaterials (Basel). 2025 Jul 4;15(13):1039. doi: 10.3390/nano15131039.
Developing functional perovskites is important for advancing solar energy conversion technologies. This study investigates the effects of dopants on the structural, optical, electronic, and solar conversion performances of BaMBiO double perovskites. X-ray diffraction (XRD) and Rietveld refinement confirm crystallization in the 2 space group (M = La, Ce, Pr, Pb), and 3¯ and 2 space groups (M = Y). The B1-O-B2 structure modulates to highly ordered (M = La, Y), partially ordered (M = Pr), or disordered (M = Ce, Pb). UV-vis spectra show strong light absorption, with Tauc plots estimating ~1.57 eV (M = La) and ~1.73 eV (M = Pr) optical band gaps. Under AM 1.5G illumination, the M = La photoelectrode generates photocurrents of 1 mA cm at 0.3 V, surpassing M = Ce and Pb (1 μm, 4-times spin-coating). Increasing its thickness to 7.7 μm (4-times dip-coating) further enhances the photocurrents to 2.3 mA cm at 0.2 V, outperforming all counterparts due to improved stability. Fine-tuning crystal and electronic structures via strategic B-site doping provides a new route for engineering BaBiO-based double perovskites for broad solar energy conversion applications.
开发功能性钙钛矿对于推进太阳能转换技术至关重要。本研究调查了掺杂剂对BaMBiO双钙钛矿的结构、光学、电子和太阳能转换性能的影响。X射线衍射（XRD）和Rietveld精修证实了在2种空间群（M = La、Ce、Pr、Pb）以及3¯和2种空间群（M = Y）中的结晶情况。B1-O-B2结构调制为高度有序（M = La、Y）、部分有序（M = Pr）或无序（M = Ce、Pb）。紫外可见光谱显示出强烈的光吸收，通过Tauc图估算出光学带隙约为1.57 eV（M = La）和约1.73 eV（M = Pr）。在AM 1.5G光照下，M = La光电极在0.3 V时产生1 mA cm的光电流，超过了M = Ce和Pb（1μm，4次旋涂）。将其厚度增加到7.7μm（4次浸涂）可在0.2 V时进一步将光电流提高到2.3 mA cm，由于稳定性提高而优于所有其他样品。通过策略性的B位掺杂微调晶体和电子结构为设计用于广泛太阳能转换应用的BaBiO基双钙钛矿提供了一条新途径。
