Birefringent crystals are in great demand for high performance polarizing devices. Designing new birefringent crystals with large birefringence remains a challenge. Herein, we successfully synthesized a new α-BBO-like π-conjugated birefringent crystal, K2HC3N3S3·1.5H2O (I). I exhibits a relatively large birefringence of 0.31@550 nm; such a birefringence is larger than those of most present commercial birefringent crystals. This result indicates that I might be a potential candidate for polarization modulation components in optical devices. First-principles calculations reveal that the planar π-conjugated [HC3N3S3]2– anions make dominant contributions in the large birefringence of I.

Yipeng Song

Weiqi Huang

Yang Zhou

Yanqiang Li

Qianting Xu

Han Wang

Minjuan Li

Xiaojun Kuang

Junhua Luo

Sangen Zhao

Crystal Growth & Design

晶体生长与设计的目的是促进在晶体生长、晶体工程和晶体材料的工业应用领域工作的科学家和工程师之间的知识交流。晶体生长与设计出版物理、化学的理论和实验研究，以及与晶体材料的设计、生长和应用相关的生物现象和过程。鼓励来自不同学科和技术的协同方法，整合晶体生长、晶体工程、分子间相互作用和工业应用等领域。

The aim of "Crystal Growth and Design" is to facilitate knowledge exchange among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial applications of crystal materials. The journal publishes theoretical and experimental research in physics and chemistry related to the design, growth, and application of crystal materials, as well as biological phenomena and processes associated with them. We encourage collaborative approaches from various disciplines and technologies, integrating research in crystal growth, crystal engineering, intermolecular interactions, and industrial applications.

《Crystal Growth and Design》的目的是促进在晶体生长、晶体工程和晶体材料工业应用领域工作的科学家和工程师之间的知识交流。该期刊出版与晶体材料的设计、生长和应用相关的物理、化学理论和实验研究，以及生物现象和过程。我们鼓励来自不同学科和技术的协同方法，整合晶体生长、晶体工程、分子间相互作用和工业应用等领域的研究。

Category	Quartile
化学	2
化学, 晶体学	1
化学, 化学综合	3
化学, 材料科学综合	3

α-BBO-like π-Conjugated Crystal with Large Birefringence

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Journal Info

Category	Quartile
MATERIALS SCIENCE, MULTIDISCIPLINARY	2