Toward first-principles approaches for mechanistic study of self-trapped exciton luminescence

HY Sun, L ** and Broadband Emission in Low-Dimensional Lead Halide Perovskites
Y Zhang, L Zhu, Z Yang, W Tao, Z Chen… - Journal of the …, 2024 - ACS Publications
Low-dimensional lead halide perovskites with broadband emission hold great promise for
single-component white-light-emitting (WLE) devices. The origin of their broadband …

Self‐Trapped Excitons in 3R ZnIn2S4 with Broken Inversion Symmetry for High‐Performance Photodetection

C Du, Z Huang, J Zhou, J Su, P Yu, Z Zheng… - Advanced …, 2025 - Wiley Online Library
Exploring novel materials with intrinsic self‐trapped excitons (STEs) is crucial for advancing
optoelectronic technologies. In this study, 2D 3R‐phase ZnIn2S4, featuring broken inversion …

Effect of substituting on the transition dipole moment of the double perovskite Cs2AgInCl6

L Zhang, J Luo, B Liu, J Yang… - Journal of Physics …, 2023 - iopscience.iop.org
The all-inorganic double perovskite Cs 2 AgInCl 6 with three dimensional structure has
attracted much attention due to its direct bandgap property and particular luminescence …

Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory

Y **, M Rusishvili, M Govoni… - The Journal of Physical …, 2024 - ACS Publications
We present a theoretical study of the formation of self-trapped excitons (STEs) and the
associated broadband emission in metal–halide perovskites Cs4SnBr6 and Cs2AgInCl6 …

Origin of broadband emission and large Stokes shift in antimony trisulfide

X Jiang, Z Xu, Y Zheng, J Zeng… - The Journal of …, 2022 - ACS Publications
The antimony trisulfide (Sb2S3) has been theoretically predicted to have various merits in
exploiting high-performance thin-film solar cells and attracted intense attention. However …

Temperature-Dependent Evolution of the Structural and Optoelectronic Properties of (NH4)3Sb2I9 Single Crystals

D Valli, M Ottesen, M Bremholm… - The Journal of …, 2023 - ACS Publications
Hybrid metal halide perovskites are characterized by excellent photoelectric properties with
great tunability. By manipulation of their chemical composition, their crystal structure can be …

Regulation of zero-dimensional metal halides by ions with lone-pair electronic structure derived from neutral atoms

J Luo, ZM Luo, B Liu, JL Yang, MQ Cai - Physical Review Applied, 2024 - APS
Recently, low-dimensional metal halides have attracted considerable attention for their
highly versatile tunability and outstanding broadband luminescence characteristics …