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arXiv · 2204.03515

Origin of Crystallization Suppression in a New Amorphous Molecular White-Light-Generating Material

Benjamin Danilo Klee·Benedict Paulus·Jonathan Link Vasco·Stefanie Dehnen·Wolf-Christian Pilgrim·Shinya Hosokawa·Jens Rüdiger Stellhorn·Shinjiro Hayakawa
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Abstract

The microscopic structure of a new infrared-driven amorphous white-light-generating material was explored by X-ray diffraction, EXAFS and Reverse Monte Carlo simulation. In this material, structural disorder appears to be prerequisite for this nonlinear optical effect. The results are consistent with quantum chemical predictions, but it is also found that the molecular cores are distorted, which is identified as a crystallization inhibitor. Sulfur atoms thereby form a uniform vibrational network, which may be responsible for the high capability of the material to absorb infrared radiation.

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Benjamin Danilo Klee, Benedict Paulus, Jonathan Link Vasco, Stefanie Dehnen, Wolf-Christian Pilgrim, Shinya Hosokawa, Jens Rüdiger Stellhorn, Shinjiro Hayakawa. 2022-04-07. Origin of Crystallization Suppression in a New Amorphous Molecular White-Light-Generating Material. https://arxiv.org/abs/2204.03515

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