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Site specific and localized structural displacements in open structured multimetallic oxides
Nanoscale ( IF 5.8 ) Pub Date : 2020/03/13 , DOI: 10.1039/c9nr09041j Thomas Lunkenbein 1, 2, 3, 4 , Liudmyla Masliuk 1, 2, 3, 4 , Milivoj Plodinec 1, 2, 3, 4 , Gerardo Algara-Siller 1, 2, 3, 4 , Sabrina Jung 1, 2, 3, 4 , Mateusz Jastak 1, 2, 3, 4 , Pierre Kube 1, 2, 3, 4 , Annette Trunschke 1, 2, 3, 4 , Robert Schlögl 1, 2, 3, 4, 5
Nanoscale ( IF 5.8 ) Pub Date : 2020/03/13 , DOI: 10.1039/c9nr09041j Thomas Lunkenbein 1, 2, 3, 4 , Liudmyla Masliuk 1, 2, 3, 4 , Milivoj Plodinec 1, 2, 3, 4 , Gerardo Algara-Siller 1, 2, 3, 4 , Sabrina Jung 1, 2, 3, 4 , Mateusz Jastak 1, 2, 3, 4 , Pierre Kube 1, 2, 3, 4 , Annette Trunschke 1, 2, 3, 4 , Robert Schlögl 1, 2, 3, 4, 5
Affiliation
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The structures of solids can locally differ from the macroscopic picture obtained by structural averaging techniques. This difference significantly influences the performance of any functional material. Measurements of these local structures are challenging. Thus, the description of defects is often disregarded. However, in order to understand the functionality, such irregularities have to be investigated. Here, we present a high resolution scanning transmission electron microscopic (STEM) study revealing local structural irregularities in open structured oxides using catalytically active orthorhombic (Mo,V,Te,Nb)Ox as a complex example. Detailed analysis of annular dark field- and annular bright field-STEM images reveal site specific local structural displacements of individual framework and channel sites in the picometer range. These experimental observables can be considered as an important structural addendum for theoretical modelling and should be implemented into the existing data in order to quantify site specific potential energies and stresses. This information can further be used to describe the impact of the structure on the catalytic performance in greater detail.
中文翻译：
开放结构的多金属氧化物的特定位置和局部结构位移
固体的结构可能与通过结构平均技术获得的宏观图像局部不同。这种差异会显着影响任何功能材料的性能。这些局部结构的测量具有挑战性。因此，经常忽略对缺陷的描述。但是，为了理解功能，必须研究这种不规则性。在这里，我们提供了高分辨率扫描透射电子显微镜（STEM）研究，揭示了使用催化活性正交晶（Mo，V，Te，Nb）O x的开放结构氧化物的局部结构不规则性作为一个复杂的例子。对环形暗场和环形亮场-STEM图像的详细分析揭示了在皮米范围内单个框架和通道位点的特定位点局部结构位移。这些实验可观察到的东西可以被认为是理论建模的重要结构附录，应该被应用到现有数据中以量化特定位置的势能和应力。该信息可以进一步用于更详细地描述结构对催化性能的影响。
更新日期：2020-03-27
中文翻译：
开放结构的多金属氧化物的特定位置和局部结构位移
固体的结构可能与通过结构平均技术获得的宏观图像局部不同。这种差异会显着影响任何功能材料的性能。这些局部结构的测量具有挑战性。因此，经常忽略对缺陷的描述。但是，为了理解功能，必须研究这种不规则性。在这里，我们提供了高分辨率扫描透射电子显微镜（STEM）研究，揭示了使用催化活性正交晶（Mo，V，Te，Nb）O x的开放结构氧化物的局部结构不规则性作为一个复杂的例子。对环形暗场和环形亮场-STEM图像的详细分析揭示了在皮米范围内单个框架和通道位点的特定位点局部结构位移。这些实验可观察到的东西可以被认为是理论建模的重要结构附录，应该被应用到现有数据中以量化特定位置的势能和应力。该信息可以进一步用于更详细地描述结构对催化性能的影响。
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