A Review on Advances in the Gas-Sensitive Properties of Perovskite Materials

Shao, X.; Shi, Y.; Wang, Huiyu; X, Sun; Yang, Lijun; Li, Xue; Wang, Minghao

doi:10.1007/s11664-023-10582-9

Cited by 5 publications

(1 citation statement)

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“…Post-transition metal cations, including Pb 2+ , Sn 2+ , Bi 3+ , and Sb 3+ , have a wide variety of applications in electrochemical energy storage [1,2] high-temperature superconductivity [3][4][5], catalysis [5][6][7], gas sensors [8][9][10], birefringent material [11][12][13][14], nonlinear optical crystals [15][16][17][18], etc. By analyzing many existing studies, it was found that the introduction of post-transition metal cations containing stereochemically active lone-pair electrons is a good strategy to enhance optical properties.…”

Section: Introductionmentioning

confidence: 99%

The Spin–Orbit Effect on the Electronic Structures, Refractive Indices, and Birefringence of X2PO4I (X = Pb, Sn, Ba and Sr): A First-Principles Investigation

Leng,

Hu,

Jing

et al. 2024

Nanomaterials

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Introducing post-transition metal cations is an excellent strategy for enhancing optical properties. This paper focuses on four isomers, namely the X2PO4I (X = Pb, Sn, Ba, and Sr) series. For the first time, the paper’s attention is paid to the changes in electronic structure, as well as refractive indices and birefringence, with and without the inclusion of spin–orbit effects in this series. The first-principles results show that spin–orbit effects of the 5p and 6p states found in these compounds lead to splitting of the bands, narrowing of the band gap, enhancement of the lone-pair stereochemistry, and enhancement of the refractive indices and birefringence. Moreover, a comparison of the lone-pair electron phosphates, X2PO4I (X = Pb and Sn), and the isomeric alkaline earth metal phosphates, X2PO4I (X = Ba and Sr), reveals that changes in the band structure have a greater effect on the enhancement of the birefringence than the slight enhancement of the lone-pair stereochemical activity. This study has important implications for a deeper understanding of the optical properties of crystals and the design of novel optical materials.

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