Outside Front Cover: High-Throughput Computational Screening of Small Molecular Crystals for Sustainable Piezoelectric Materials (Angew. Chem. 18/2025)

Shubham Vishnoi, Geetu Kumari, Robert Guest, Pierre-André Cazade, Sarah Guerin
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引用次数: 0

Abstract

Molecular crystals that belong to non-centrosymmetric space groups demonstrate piezoelectricity by interconverting electrical and mechanical energy. The cover image shows molecular crystal unit cells interlocking into a crystalline electrified assembly. As Pierre-André Cazade, Sarah Guerin et al. demonstrate in their Research Article (e202501232), the unit cell can be studied using computational chemistry to predict the piezoelectric response of a crystal and screen for sustainable materials in sensing, actuation, and energy harvesting. Image: Ella Maru Studio.

Abstract Image

外封面:可持续压电材料小分子晶体的高通量计算筛选(新)。化学18/2025)
属于非中心对称空间群的分子晶体通过电能和机械能的相互转换表现出压电性。封面图像显示分子晶体单元细胞联锁成结晶带电组件。正如pierre - andre Cazade、Sarah Guerin等人在他们的研究文章(e202501232)中所展示的那样,可以使用计算化学来研究单元电池,以预测晶体和屏幕在传感、驱动和能量收集方面的压电响应。图片来源:Ella Maru Studio。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Angewandte Chemie
Angewandte Chemie 化学科学, 有机化学, 有机合成
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