Theory and Experiment of Heterogeneous Catalyst with Symmetric Structure

A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".

Deadline for manuscript submissions: closed (30 June 2022) | Viewed by 3225

Special Issue Editor

Shanghai Key Laboratory of Chemical Assessment and Sustainability, School of Chemical Science and Engineering, Tongji University, Shanghai, China
Interests: theoretical catalysis; density functional theory simulation; structure-porformance relationship of heterogeneous catalysts

Special Issue Information

Dear Colleagues,

In the modern chemical industry, heterogeneous catalysis plays a key role in the production of numerous essential products. Understanding the relationship between catalyst structure and catalytic performance, and constructing catalysts with well-designed target structures, is of great significance for the development of catalysts with excellent performance (high activity, selectivity, and durability).

To simplify the complex heterogeneous catalytic system, highly symmetrical small nanoparticles, periodic crystal surfaces, and ordered porous materials are commonly used as model systems to study the reaction mechanism and the structure of active sites. It is an increasingly important research topic in the field of catalysis to study the effect of structural symmetry of the catalysts on catalytic reactions.

The aim of the present Special Issue is to emphasize a fundamental understanding of heterogeneous catalytic reactions and the role of catalyst structural symmetry. We are soliciting contributions (research and review articles) covering a broad range of topics on the understanding of heterogeneous catalysts, including (though not limited to) the following: relationships between substrate adsorption configuration and catalyst symmetry, effects of catalyst structure on reaction selectivity, catalytic reaction mechanisms, dynamics under different catalytic environments (e.g., restricted in a confined space), etc.

Prof. Dr. Guangfeng Wei
Guest Editor

Manuscript Submission Information

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Keywords

  • heterogeneous catalysis
  • structure of catalytic material
  • rational design of catalysts
  • catalytic reaction mechanisms
  • structure–performance relationships
  • dynamics under catalytic environment

Published Papers (1 paper)

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Research

6 pages, 912 KiB  
Communication
An fcu Th-MOF Constructed from In Situ Coupling of Monovalent Ligands
by Ting Song, Wenlei Tang, Chuer Bao, Qiuxue Lai, Zhiyuan Zhang, Xuan Feng and Chong Liu
Symmetry 2021, 13(8), 1332; https://0-doi-org.brum.beds.ac.uk/10.3390/sym13081332 - 23 Jul 2021
Cited by 5 | Viewed by 1971
Abstract
Synthetic efforts targeting highly symmetrical metal–organic frameworks (MOFs) have always been relentless, for the symmetry of a MOF’s pore environment and overall crystal structure are relevant to the MOF’s properties and behavior. Herein, we report a novel Th-based MOF constructed from assembling highly [...] Read more.
Synthetic efforts targeting highly symmetrical metal–organic frameworks (MOFs) have always been relentless, for the symmetry of a MOF’s pore environment and overall crystal structure are relevant to the MOF’s properties and behavior. Herein, we report a novel Th-based MOF constructed from assembling highly symmetrical Th-oxo clusters via in situ reductive coupling of nitroso groups on the cluster surface. Nitroso groups have long been known to dimerize in a reversible fashion. Putting them on the monovalent ligands that decorate the Th-oxo clusters can facilitate a downstream assembly process that link the said clusters in a controllable and predictable manner, preserving the overall symmetry in the MOF product. Moreover, the assembly can be made permanent by reducing the azodioxy moiety to azo, effectively locking the symmetrical MOF form. We believe this process of assembling pre-formed Th-oxo clusters helps the overall MOF adopt a highly symmetrical topology (face-centered cubic, fcu) resembling the well-known UiO series MOFs based on tetravalent Zr/Hf. Full article
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