介于二维和三维晶体间的超薄晶态材料的X射线衍射及对称性研究  

X-ray diffraction and the symmetry of ultrathin crystalline materials between two-dimensional and three-dimensional crystals

作　　者：马恒瑞 蒋巧荣 南子昂 李根 贾艳艳 宁若昕 吉家葆 曹振明 吕林喆 李慧齐 戴升 林海昕 谢兆雄 Hengrui Ma;Qiaorong Jiang;Zi-Ang Nan;Gen Li;Yanyan Jia;Ruoxin Ning;Jia-Bao Ji;Zhenming Cao;Linzhe Lü;Huiqi Li;Sheng Dai;Haixin Lin;Zhaoxiong Xie(State Key Laboratory of Physical Chemistry of Solid Surfaces,Collaborative Innovation Center of Chemistry for Energy Materials,and Department of Chemistry,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen 361005,China;Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center,Institute of Fine Chemicals,School of Chemistry&Molecular Engineering,East China University of Science and Technology,Shanghai 200237,China;Department of Chemistry and Applied Biosciences,Laboratory of Physical Chemistry,ETH Zürich,Zürich CH-8093,Switzerland;Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM),Xiamen 361005,China)

机构地区：[1]State Key Laboratory of Physical Chemistry of Solid Surfaces,Collaborative Innovation Center of Chemistry for Energy Materials,and Department of Chemistry,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen 361005,China [2]Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center,Institute of Fine Chemicals,School of Chemistry&Molecular Engineering,East China University of Science and Technology,Shanghai 200237,China [3]Department of Chemistry and Applied Biosciences,Laboratory of Physical Chemistry,ETH Zürich,Zürich CH-8093,Switzerland [4]Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM),Xiamen 361005,China

出　　处：《Science Bulletin》2023年第9期887-891,M0003,共6页科学通报（英文版）

基　　金：supported by the National Key Research and Development Program of China (2020YFB1505802);the National Natural Science Foundation of China (21931009 and 21721001);the Fundamental Research Funds for the Central Universities (20720210016 and 20720210104);the China Postdoctoral Science Foundation (2020M671939);Additional support was provided by Feringa Nobel Prize Scientist Joint Research Center。

摘　　要：为了深入理解超薄晶态材料的结构和对称性的独特性,本文在充分考虑超薄晶态材料堆积自由度的情况下,从数学和晶体学角度对介于二维与三维之间的超薄纳米晶体的对称性和X射线衍射进行了探讨.认为超薄纳米晶体的对称性需要用数学层群(layer group)来描述;另外,由于其层堆叠方向上不具有周期性结构,超薄纳米晶体可能产生特异衍射特征.为了验证这一观点,研究了三类在层堆叠方向不具有周期性的典型超薄纳米晶体的X射线衍射,从实验上观察到了超薄纳米晶体与其体相三维晶体粉末X射线衍射的不同;针对基于三维晶体的X射线衍射模拟软件不再适用于超薄纳米晶体的情况,发展了超薄纳米晶体的全结构X射线衍射分析方法,很好地模拟了超薄纳米晶粉末X射线衍射图.该研究对超薄纳米晶态材料的结构及对称性提出了新见解,将有益于推动相关材料的构效关系研究和新功能开发.Following the precedent of graphene[1],ultrathin crystalline materials have displayed a broad range of fascinating properties,such as superconductivity,nonlinear optics,and piezoelectricity[2–7].Generally,previous studies have ascribed them as ideal two-dimensional(2D)crystals or three-dimensional(3D)crystals thinned in one dimension,which cannot accurately describe the symmetries of the stacking forms for ultrathin crystalline materi-als.

关 键 词：纳米晶体 周期性结构 X射线衍射 纳米晶粉末 模拟软件 对称性 自由度 

分 类 号：O72[理学—晶体学] TB383.1[一般工业技术—材料科学与工程]