Rational Design of Organic Manganese Halides for High Quantum Efficiency and Stability

Organic manganese halides have gained attention as luminescent materials due to their characteristics, such as low toxicity, ease of synthesis, and high photoluminescence quantum yield (PLQY). This study challenges the common belief that increasing the Mn–Mn distance invariably boosts PLQY. It introduces a 3D diagram illustrating the importance of ground-state and excited-state band alignments in influencing PLQY. The research identifies how different organic cations result in two distinct band alignments, thus impacting PLQY. Additionally, the research delves into the effects of temperature and pressure on the stability of three organic manganese bromides. Findings indicate that the structural attributes of organic cations significantly influence the materials' responses to thermal stress and pressure. For instance, (PPh4)2MnBr4, characterized by a strong conjugation effect and stable structure, displays superior thermal stability and pressure resistance. Conversely, (N-BHMTA)2MnBr4, with a more intricate structure and lower stability, exhibits susceptibility to irreversible structural alterations under elevated temperature and pressure. These insights are pivotal for developing stable, efficient luminescent materials across diverse applications.
That dataset provides the raw data of room-temperature excitation and emission spectra,  temperature and pressure-dependent time-resolved emission spectra, temperature and pressure-dependent photoluminescence, temperature and pressure-dependent Raman spectra of (BTMA)2MnBr4 , (N-BHMTA)2MnBr4 and (PPh4)2MnBr4 . The data provides also pressure-dependent excitation spectra of (N-BHMTA)2MnBr4.
Associated publication:Wen-Tse Huang, Yi-Shin Chen, Yen-Huei Lin, Agata Lazarowska, Natalia Majewska, Sebastian Mahlik, Grzegorz Leniec, Hsiao-Yu Huang, Amol Singh, Di-Jing Huang, Pengfei Fu, Zewen Xiao, Ru-Shi Liu: Rational Design of Organic Manganese Halides for High Quantum Efficiency and StabilitySmall Volume 21, Issue 16, 2501075https://doi.org/10.1002/smll.202501075
Funding:This work was supported by the National Science and TechnologyCouncil (Contract Nos. NSTC 113-2113-M-002-005 and NSTC 113-2923-M-002-006), the National Science Center Poland (Grant Opus No.2019/33/B/ST3/00406), and the National Centre for Research and Devel-opment Poland (Grant No. POLTAJ11/2023/41/IRPA/2024).