Insights into the nature of Zr-species in MFI-type Zr-metallosilicates by using bulk and surface techniques

IF 4.8 3区材料科学 Q1 CHEMISTRY, APPLIED

Microporous and Mesoporous Materials Pub Date : 2024-07-21 DOI:10.1016/j.micromeso.2024.113261

引用次数: 0

Abstract

The purpose of this study is to prepare Zr-metallosilicates with MFI-type framework via direct hydrothermal approach, by varying Si and Zr precursors. First, a set of routine characterization techniques was applied to confirm the presence of the targeted structure as well as their intrinsic properties. Results suggest the formation of MFI-type materials with large specific surface areas (up to 421 m² g⁻¹). Then, a combination of advanced spectroscopic techniques (XPS, ToF-SIMS, EPR), high-resolution microscopy, and periodic Density Functional Theory (DFT) calculations were applied to study their bulk and surface properties as well as the nature and localization of Zr-species. It appears that the insertion of zirconium atoms within a MFI framework is energetically unfavorable, leading to the formation of an amorphous silica-zirconia shell coating the zeolite crystals.

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利用块体和表面技术深入了解 MFI 型锆金属硅酸盐中锆元素的性质

本研究的目的是通过改变硅和锆的前驱体，以直接水热法制备具有 MFI 型框架的锆金属硅酸盐。首先，采用了一系列常规表征技术来确认目标结构的存在及其内在特性。结果表明，形成的 MFI 型材料具有较大的比表面积（高达 421 m g）。随后，研究人员将先进的光谱技术（XPS、ToF-SIMS、EPR）、高分辨率显微镜和周期性密度泛函理论（DFT）计算结合起来，研究了这些材料的块体和表面性质以及 Zr-物种的性质和定位。锆原子在 MFI 框架内的插入似乎在能量上是不利的，从而形成了包裹沸石晶体的无定形二氧化硅-氧化锆外壳。

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来源期刊

Microporous and Mesoporous Materials 化学-材料科学：综合

CiteScore

10.70

自引率

5.80%

发文量

649

审稿时长

26 days

期刊介绍： Microporous and Mesoporous Materials covers novel and significant aspects of porous solids classified as either microporous (pore size up to 2 nm) or mesoporous (pore size 2 to 50 nm). The porosity should have a specific impact on the material properties or application. Typical examples are zeolites and zeolite-like materials, pillared materials, clathrasils and clathrates, carbon molecular sieves, ordered mesoporous materials, organic/inorganic porous hybrid materials, or porous metal oxides. Both natural and synthetic porous materials are within the scope of the journal. Topics which are particularly of interest include: All aspects of natural microporous and mesoporous solids The synthesis of crystalline or amorphous porous materials The physico-chemical characterization of microporous and mesoporous solids, especially spectroscopic and microscopic The modification of microporous and mesoporous solids, for example by ion exchange or solid-state reactions All topics related to diffusion of mobile species in the pores of microporous and mesoporous materials Adsorption (and other separation techniques) using microporous or mesoporous adsorbents Catalysis by microporous and mesoporous materials Host/guest interactions Theoretical chemistry and modelling of host/guest interactions All topics related to the application of microporous and mesoporous materials in industrial catalysis, separation technology, environmental protection, electrochemistry, membranes, sensors, optical devices, etc.

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