Force–Light–Electric Three-Dimensional Dynamic Mechanism of Room-Temperature Phosphorescence Materials under Hydrostatic Pressure

作者：Huanling Liu, Yang Gao, Lili Lin, Yuzhi Song, Zhen Xie, Chuan‐Kui Wang, Jianzhong Fan · 发表于：The Journal of Physical Chemistry Letters · 年份：2025 · DOI：10.1021/acs.jpclett.5c01697 · 被引用次数：8 · 研究领域：Luminescence and Fluorescent Materials、Analytical Chemistry and Sensors、Organic Light-Emitting Diodes Research

Adaptive deformation display technology imposes new demands on core materials and devices, as traditional mechanical and structural flexibility struggles to meet the requirements of high resolution and high reliability. Intrinsically flexible molecular materials that combine mechanical deformation properties with optoelectronic functionalities offer a unique technological pathway for adaptive deformation displays. However, current research predominantly focuses on the single-dimensional properties of room-temperature phosphorescence (RTP) materials, which limits a comprehensive understanding of their stimuli-responsive properties. In this study, we select nine molecules based on phenothiazine (PTZO) and trifluoromethyl (CF 3 ) substituted derivatives, systematically investigating the luminescence and charge transport properties under hydrostatic pressure (0–6 GPa). This work is the first to achieve a unified characterization of individual molecular performance in a three-dimensional force–light–electric model, revealing the complex coupling mechanisms among molecular structures, molecular packing modes, excited-state regulations, and stimuli-responsive properties. The nine molecules exhibit distinct pressure-induced response characteristics. In particular, PTZO-2CF 3 derivatives demonstrate unique pressure-responsive behavior with their emission wavelength and spin–orbit coupling (SOC) strength showing monotonic changes under pressure, primarily due to the strong electron-abs...