Structural regulation and optical behavior of zero-dimensional Cu(I)-based organometallic halides under pressure

• Published in: Chinese physics B Vol. 34; no. 6; pp. 66204 - 66208
• Main Authors: Ye, Runnan, Wang, Jingtian, Yang, Jiayi, Wang, Xuchen, Lei, Junce, Zhao, Wenya, Meng, Yufan, Xiao, Guanjun, Zou, Bo
• Format: Journal Article
• Language: English
• Published: Chinese Physical Society and IOP Publishing Ltd 01.06.2025
• Subjects: high pressure; low-dimensional Cu-based halides; rearrangement; redshift
• ISSN: 1674-1056; 2058-3834
• DOI: 10.1088/1674-1056/adc193

Low-dimensional hybrid metal halides exhibit broadband emission and high photoluminescence quantum yield (PLQY), making them promising candidates for the next-generation luminescent materials in lighting applications. Here, the emission intensity of (C 12 H 24 O 6 ) 2 Na 2 (H 2 O) 3 Cu 4 I 6 was strengthened between 9.3 GPa and 17.2 GPa, accompanied by the redshift of emission wavelength. The photoluminescence (PL) of Cu(I)-based organometallic halides originates from multiple emission states, which are a metal-to-ligand charge transfer or a halide-to-ligand charge transfer (MLCT/HLCT) excited state and a cluster-centered (CC) excited state. MLCT/HLCT-related emission wavelength redshifts while CC-related emission wavelength remains unchanged, indicating that the rearrangement of different emission states plays a critical role in the changes of luminescence wavelength. This study not only deepens the understanding of the influence of high pressure on (C 12 H 24 O 6 ) 2 Na 2 (H 2 O) 3 Cu 4 I 6 , but also provides valuable insights into the structure–property relationship of zero-dimensional Cu(I)-based organometallic halides.