当前位置：
X-MOL 学术
›
J. Phys. Chem. Lett.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Self-Assembled Organic Cations-Assisted Band-Edge Tailoring in Bismuth-Based Perovskites for Enhanced Visible Light Absorption and Photoconductivity
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-06-16 , DOI: 10.1021/acs.jpclett.1c01321
Johnpaul K Pious 1, 2 , Manasa G Basavarajappa 3, 4 , Chinnadurai Muthu 1, 2 , Ryosuke Nishikubo 5 , Akinori Saeki 5 , Sudip Chakraborty 3, 4 , Atsuro Takai 6 , Masayuki Takeuchi 6 , Chakkooth Vijayakumar 1, 2
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-06-16 , DOI: 10.1021/acs.jpclett.1c01321
Johnpaul K Pious 1, 2 , Manasa G Basavarajappa 3, 4 , Chinnadurai Muthu 1, 2 , Ryosuke Nishikubo 5 , Akinori Saeki 5 , Sudip Chakraborty 3, 4 , Atsuro Takai 6 , Masayuki Takeuchi 6 , Chakkooth Vijayakumar 1, 2
Affiliation
|
Bismuth-based zero-dimensional perovskites garner high research interest because of their advantages, such as excellent moisture stability and lower toxicity in comparison to lead-based congeners. However, the wide optical bandgap (>2 eV) and poor photoconductivity of these materials are the bottlenecks for their optoelectronic applications. Herein, we report a combined experimental and theoretical study of the structural features and optoelectronic properties of two novel and stable zero-dimensional bismuth perovskites: (biphenyl bis(methylammonium))1.5BiI6·2H2O (BPBI) and (naphthalene diimide bis(ethylammonium))1.5BiI6·2H2O (NDBI). NDBI features a remarkably narrower bandgap (1.82 eV) than BPBI (2.06 eV) because of the significant orbital contribution of self-assembled naphthalene diimide cations at the band edges of NDBI. Further, the FP-TRMC analysis revealed that the photoconductivity of NDBI is about 3.7-fold greater than that of BPBI. DFT calculations showed that the enhanced photoconductivity in NDBI arises from its type-IIa band alignment, whereas type-Ib alignment was seen in BPBI.
中文翻译：
铋基钙钛矿中的自组装有机阳离子辅助带边剪裁可增强可见光吸收和光电导率
铋基零维钙钛矿因其优点而引起了很高的研究兴趣，例如与铅基同系物相比具有优异的水分稳定性和较低的毒性。然而，这些材料的宽光学带隙（>2 eV）和较差的光电导率是其光电应用的瓶颈。在此，我们报告了两种新型稳定的零维钙钛矿铋的结构特征和光电性质的综合实验和理论研究：(联苯双(甲基铵)) 1.5 BiI 6 ·2H 2 O (BPBI)和(萘二酰亚胺双) (乙基铵)) 1.5 BiI 6 ·2H 2 O (NDBI)。 NDBI 的带隙 (1.82 eV) 比 BPBI (2.06 eV) 明显窄，因为自组装萘二酰亚胺阳离子在 NDBI 的带边缘具有显着的轨道贡献。此外，FP-TRMC分析表明NDBI的光电导率比BPBI高约3.7倍。 DFT 计算表明，NDBI 中增强的光电导性源于其 IIa 型能带排列，而 BPBI 中则可见 Ib 型排列。
更新日期：2021-06-24
中文翻译：
铋基钙钛矿中的自组装有机阳离子辅助带边剪裁可增强可见光吸收和光电导率
铋基零维钙钛矿因其优点而引起了很高的研究兴趣，例如与铅基同系物相比具有优异的水分稳定性和较低的毒性。然而，这些材料的宽光学带隙（>2 eV）和较差的光电导率是其光电应用的瓶颈。在此，我们报告了两种新型稳定的零维钙钛矿铋的结构特征和光电性质的综合实验和理论研究：(联苯双(甲基铵)) 1.5 BiI 6 ·2H 2 O (BPBI)和(萘二酰亚胺双) (乙基铵)) 1.5 BiI 6 ·2H 2 O (NDBI)。 NDBI 的带隙 (1.82 eV) 比 BPBI (2.06 eV) 明显窄，因为自组装萘二酰亚胺阳离子在 NDBI 的带边缘具有显着的轨道贡献。此外，FP-TRMC分析表明NDBI的光电导率比BPBI高约3.7倍。 DFT 计算表明，NDBI 中增强的光电导性源于其 IIa 型能带排列，而 BPBI 中则可见 Ib 型排列。
京公网安备 11010802027423号