Structural disorder in molecular framework materials

Cairns, Andrew B.; Goodwin, Andrew L.

doi:10.1039/c3cs35524a

Cited by 138 publications

(116 citation statements)

References 57 publications

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“…Internal surface defects may be static or dynamic (Cairns and Goodwin, 2013). Dynamic effects, cf., ligand rotation, will be disregarded as they are not formed upon or affected by SALE.…”

Section: Resultsmentioning

confidence: 99%

The Impact of Post-Synthetic Linker Functionalization of MOFs on Methane Storage: The Role of Defects

et al. 2016

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Natural gas is increasingly being viewed as one of the most viable alternatives to gasoline. However, its vehicular application will only be widespread if safe and high-capacity methane stores are developed. In this work, we report an over 33% increase in methane uptake on a post-synthetically modified metal-organic framework. The underlying mechanism for this dramatic increase is due to lattice defects formed upon post-synthetic modification. This method may open new approaches to natural gas storage.

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“…Internal surface defects may be static or dynamic (Cairns and Goodwin, 2013). Dynamic effects, cf., ligand rotation, will be disregarded as they are not formed upon or affected by SALE.…”

Section: Resultsmentioning

confidence: 99%

The Impact of Post-Synthetic Linker Functionalization of MOFs on Methane Storage: The Role of Defects

et al. 2016

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“…For instance, such models could provide chemists with a tool to assist them in the design and synthesis of new NTE materials which, for example, could be built as MOFs [59,60], metal cyanides [61,62] or ceramics [63,64], and optimized so as to achieve some desired thermal expansion property. The applicability or the model presented here to real systems depends to a significant degree on the validity of the assumptions made.…”

Section: Resultsmentioning

confidence: 99%

Maximizing negative thermal expansion via rigid unit modes: a geometry-based approach

et al. 2015

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Existent rigid unit mode (RUM) models based on rotating squares, which may explain the phenomenon of negative thermal expansion (NTE), are generalized so as to assess the NTE potential for novel systems made from rectangular or rhombic rigid units. Analytical models for the area coefficients of thermal expansion (CTE) of these innovative networks are derived in an attempt to determine the optimal geometrical parameters and connectivity for maximum NTE. It was found that all systems exhibit NTE, the extent of which is determined by the shape and connectivity of the elemental rigid units (side lengths ratio or internal angle). It was also found that some of the networks proposed here should exhibit significantly superior NTE properties when compared with the well-known network of squares, and that for optimal NTE characteristics, pencil-like rigid units should be used rather than square-shaped ones, as these permit larger pore sizes that are more conducive to NTE. All this compliments earlier work on the negative Poisson's ratio (auxetic) potential of such systems and may provide a route for the design of new materials exhibiting superior thermo-mechanical characteristics including specifically tailored CTEs or giant NTE characteristics.

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“…76 By high-resolution neutron diffraction it was shown that UiO-66(Zr) framework contains a significant amount of vacancies due to the missing ligands. 77 The concentration of vacancies can be tuned by using the acetic acid modulator and thus manipulate the porosity properties of the MOF.…”

Section: Structure Defects and Framework Voidsmentioning

confidence: 99%

Chemistry of Metal-organic Frameworks Monitored by Advanced X-ray Diffraction and Scattering Techniques

Mazaj

Kaučič

Logar

2016

ACSi

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In the memory of Janez (Janko) Jamnik. AbstractThe research on metal-organic frameworks (MOFs) experienced rapid progress in recent years due to their structure diversity and wide range of application opportunities. Continuous progress of X-ray and neutron diffraction methods enables more and more detailed insight into MOF's structural features and significantly contributes to the understanding of their chemistry. Improved instrumentation and data processing in high-resolution X-ray diffraction methods enables the determination of new complex MOF crystal structures in powdered form. By the use of neutron diffraction techniques, a lot of knowledge about the interaction of guest molecules with crystalline framework has been gained in the past few years. Moreover, in-situ time-resolved studies by various diffraction and scattering techniques provided comprehensive information about crystallization kinetics, crystal growth mechanism and structural dynamics triggered by external physical or chemical stimuli. The review emphasizes most relevant advanced structural studies of MOFs based on powder X-ray and neutron scattering.

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Structural disorder in molecular framework materials

Cited by 138 publications

References 57 publications

The Impact of Post-Synthetic Linker Functionalization of MOFs on Methane Storage: The Role of Defects

The Impact of Post-Synthetic Linker Functionalization of MOFs on Methane Storage: The Role of Defects

Maximizing negative thermal expansion via rigid unit modes: a geometry-based approach

Chemistry of Metal-organic Frameworks Monitored by Advanced X-ray Diffraction and Scattering Techniques

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