Structural Tuning and Piezoluminescence Phenomenon in Trithiocyanuric Acid

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• 作者：Qian Li ; Shourui Li ; Kai Wang ; Yuanyuan Zhou ; Zewei Quan ; Yue Meng ; Yanming Ma ; Bo Zou
• 刊名：Journal of Physical Chemistry C
• 出版年：2017
• 出版时间：January 26, 2017
• 年：2017
• 卷：121
• 期：3
• 页码：1870-1875
• 全文大小：454K
• ISSN：1932-7455

文摘

As an essential thermodynamic variable, pressure has a powerful ability to accurately control molecular structures and properties by modulating the noncovalent interactions therein. Based on this point, we utilized pressure to tune the structure and properties of trithiocyanuric acid (C₃H₃N₃S₃, TTCA), gaining deeper insight into its structural nature and structure–property relationships. During compression, layered TTCA undergoes molecular distortion and relative slippage between interlayers, as well as anisotropic and stepwise shrinkage of intralayer six-molecule rings. Importantly, these structural variations have a great influence on the luminescence properties of TTCA. Piezoluminescence is observed above ∼4 GPa, acompanied by the calculated shifting of valence-band top. In experiments, detailed stepwise compression of the intralayer structure was captured directly. The observations combine the microscopic structure and macroscopic properties together and are beneficial for the further design of luminescence materials, as well as pressure sensors and pressure switches.