Heterogeneous catalysts based on mesoporous metal–organic frameworks

Xu, Wenlong; Thapa, Kedar Bahadur; Ju, Qiang; Fang, Zhenlan; Huang, Wei

doi:10.1016/j.ccr.2017.10.014

Cited by 132 publications

(83 citation statements)

References 268 publications

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“…The open porous system and high porosity and large inner surface area of MOFs allow fast mass transport and/or interactions with substrates [6,30]. The efficiency of MOF catalytic materials in shape-and size-selective and regio-and enantioselective reactions can be realized due to unique active site structures and adjusted micro/meso porosity of a number of the metal-organic frameworks [31,32]. MOF-based catalysts can have active sites both in inorganic nodes (metal centers) and organic linkers [33].…”

Section: Mofs-based Catalysts and Their Main Characteristicsmentioning

confidence: 99%

Metal–Organic Frameworks-Based Catalysts for Biomass Processing

2018

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: Currently, metal–organic frame works (MOFs) as novel hybrid nanoporous materials are a top research interest, including endeavors in heterogeneous catalysis. MOF materials are promising heterogeneous catalytic systems due to their unique characteristics, such as a highly ordered structure, a record high surface area and a compositional diversity, which can be precisely tailored. Very recently, these metal-organic matrices have been proven as promising catalysts for biomass conversion into value-added products. The relevant publications show that the structure of MOFs can contribute essentially to the advanced catalytic performance in processes of biomass refining. This review aims at the consideration of the different ways for the rational design of MOF catalysts for biomass processing. The particular characteristics and peculiarities of the behavior of different MOF based catalytic systems including hybrid nanomaterials and composites will be also discussed by illustrating their outstanding performance with appropriate examples relevant to biomass catalytic processing.

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Section: Mofs-based Catalysts and Their Main Characteristicsmentioning

confidence: 99%

Metal–Organic Frameworks-Based Catalysts for Biomass Processing

2018

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“…Metal–organic frameworks (MOFs), constructed via the self‐assembly of metal ions (or clusters) and organic ligands, have attracted extensive attention because of their diverse topologies, tunable functionalities, and large surface areas . These characteristics make MOFs potentially useful in various applications, such as catalysis, adsorption, and sensing . It is noticeable that most reported MOFs are microporous with pore sizes less than 2 nm, which favors the capture/separation of guests with small molecular sizes.…”

Section: Figurementioning

confidence: 99%

Generation of Hierarchical Porosity in Metal–Organic Frameworks by the Modulation of Cation Valence

Qian

et al. 2019

Angewandte Chemie

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Hierarchically porous metal–organic frameworks (HP‐MOFs) have attracted great attention owing to their advantages over microporous MOFs in some applications. Despite many attempts, the development of a facile approach to generate HP‐MOFs remains a challenge. Herein we develop a new strategy, namely the modulation of cation valence, to create hierarchical porosity in MOFs. Some of the CuII metal nodes in MOFs can be transformed into CuI via reducing vapor treatment (RVT), which partially changes the coordination mode and thus breaks coordination bonds, resulting in the formation of HP‐MOF based on the original microporous MOF. Both the experimental results and the first‐principles calculation show that it is easy to tailor the amount of CuI and subsequent hierarchical porosity by tuning the RVT duration. It is found that the resultant HP‐MOFs perform much better in the capture of aromatic sulfides than the original microporous MOF.

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“…Metal-organic frameworks (MOFs) are microporous and mesoporous solids in which inorganometallic nodes (which may be, for example, metal cations or metal oxide clusters) are connected with organic linkers [1][2][3]. MOFs have applications and potential applications for gas separation and storage [4][5][6], energy storage [7,8], photocatalysis [9][10][11], and other catalytic [12][13][14] processes. Theory and computation are useful tools to predict the accurate structures of MOFs for the precise understanding of their functional behavior.…”

Section: Introductionmentioning

confidence: 99%

Improved Predictive Tools for Structural Properties of Metal–Organic Frameworks

Choudhuri

Truhlar

2020

Molecules

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The accurate determination of structural parameters is necessary to understand the electronic and magnetic properties of metal–organic frameworks (MOFs) and is a first step toward accurate calculations of electronic structure and function for separations and catalysis. Theoretical structural determination of metal-organic frameworks is particularly challenging because they involve ionic, covalent, and noncovalent interactions, which must be treated in a balanced fashion. Here, we apply a diverse group of local exchange-correlation functionals (PBE, PBEsol, PBE-D2, PBE-D3, vdW-DF2, SOGGA, MN15-L, revM06-L, SCAN, and revTPSS) to a broad test set of MOFs to seek the most accurate functionals to study various structural aspects of porous solids, in particular to study lattice constants, unit cell volume, two types of pore size characteristics, bond lengths, bond angles, and torsional angles). The recently developed meta functionals revM06-L and SCAN, without adding any molecular mechanics terms, are able to predict more accurate structures than previously recommended functionals, both those without molecular mechanics terms (PBE, PBEsol, vdW-DF2, and revTPSS) and those with them (PBE-D2 and PBE-D3). To provide a broader test, these two functionals are also tested for lattice constants and band gaps of unary, binary, and ternary semiconductors.

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Heterogeneous catalysts based on mesoporous metal–organic frameworks

Cited by 132 publications

References 268 publications

Metal–Organic Frameworks-Based Catalysts for Biomass Processing

Metal–Organic Frameworks-Based Catalysts for Biomass Processing

Generation of Hierarchical Porosity in Metal–Organic Frameworks by the Modulation of Cation Valence

Improved Predictive Tools for Structural Properties of Metal–Organic Frameworks

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