Discovering Pseudo-Supertetrahedral Functional Units in Salt-Inclusion Nonlinear Optical Material [Ba22(SO4)5][Zn14Ga18S58]

IF 8.7 1区化学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY ACS Materials Letters Pub Date : 2025-03-21 DOI:10.1021/acsmaterialslett.5c00116

Jia-Xiang Zhang, Mao-Yin Ran, A-Yang Wang, Zuju Ma*, Xin-Tao Wu, Hua Lin* and Qi-Long Zhu*,

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Abstract

Chalcogenide supertetrahedral functional units play a vital role in both fundamental research and technological applications, but discovering new types of these units remains a significant challenge. This gap is largely due to the difficulty in inducing stable, novel supertetrahedral structures with unique properties. In this work, we successfully synthesize [Ba₂₂(SO₄)₅][Zn₁₄Ga₁₈S₅₈] (BZGSO), the first sulfate-incorporated salt-inclusion chalcogenide, using high-temperature solid-state methods. BZGSO features a unique, noncentrosymmetric FTW-type framework composed of unprecedented pseudosupertetrahedral [Zn₁₃Ga₁₆S₅₈] functional units. These units are formed by defective [Zn₃Ga₄S₁₆] clusters around a [ZnS₆] octahedron. Notably, BZGSO exhibits promising characteristics for infrared nonlinear optical applications. The theoretical analysis reveals key structure–property relationships, and a systematic study of X/Zn/Ga/S compounds suggests a trend in structural dimensionality based on [X/(Zn+Ga)] ratios. This work not only advances the understanding of supertetrahedral chemistry but also paves the way for the discovery of materials with potential technological applications.

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盐包体非线性光学材料[Ba22(SO4)5][Zn14Ga18S58]中伪超四面体功能单元的发现

硫系超四面体功能单元在基础研究和技术应用中都发挥着重要作用，但发现新型的超四面体功能单元仍然是一个重大挑战。这种差距很大程度上是由于难以诱导出具有独特性质的稳定、新颖的超四面体结构。在这项工作中，我们成功地用高温固相方法合成了第一个硫酸盐包合盐硫系化合物[Ba22(SO4)5][Zn14Ga18S58] （BZGSO）。BZGSO具有独特的非中心对称ftw型框架，由前所未有的伪超四面体[Zn13Ga16S58]功能单元组成。这些单元是由[ZnS6]八面体周围有缺陷的[Zn3Ga4S16]簇形成的。值得注意的是，BZGSO在红外非线性光学应用中表现出良好的特性。理论分析揭示了X/Zn/Ga/S化合物的关键结构-性能关系，系统研究表明[X/(Zn+Ga)]比值是结构维数变化的趋势。这项工作不仅促进了对超四面体化学的理解，而且为发现具有潜在技术应用价值的材料铺平了道路。

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来源期刊

ACS Materials Letters MATERIALS SCIENCE, MULTIDISCIPLINARY-

CiteScore

14.60

自引率

3.50%

发文量

261

期刊介绍： ACS Materials Letters is a journal that publishes high-quality and urgent papers at the forefront of fundamental and applied research in the field of materials science. It aims to bridge the gap between materials and other disciplines such as chemistry, engineering, and biology. The journal encourages multidisciplinary and innovative research that addresses global challenges. Papers submitted to ACS Materials Letters should clearly demonstrate the need for rapid disclosure of key results. The journal is interested in various areas including the design, synthesis, characterization, and evaluation of emerging materials, understanding the relationships between structure, property, and performance, as well as developing materials for applications in energy, environment, biomedical, electronics, and catalysis. The journal has a 2-year impact factor of 11.4 and is dedicated to publishing transformative materials research with fast processing times. The editors and staff of ACS Materials Letters actively participate in major scientific conferences and engage closely with readers and authors. The journal also maintains an active presence on social media to provide authors with greater visibility.

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