scholarly journals Mixed hierarchical local structure in a disordered metal–organic framework

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Adam F. Sapnik ◽  
Irene Bechis ◽  
Sean M. Collins ◽  
Duncan N. Johnstone ◽  
Giorgio Divitini ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Range Order ◽  
Zeolitic Imidazolate Framework ◽  
Medium Range Order ◽  
Structural Characterisation ◽  
Disordered Structures ◽  
Medium Range ◽  
Metal Organic ◽  
Computational Discovery ◽  
Atomistic Structure

AbstractAmorphous metal–organic frameworks (MOFs) are an emerging class of materials. However, their structural characterisation represents a significant challenge. Fe-BTC, and the commercial equivalent Basolite® F300, are MOFs with incredibly diverse catalytic ability, yet their disordered structures remain poorly understood. Here, we use advanced electron microscopy to identify a nanocomposite structure of Fe-BTC where nanocrystalline domains are embedded within an amorphous matrix, whilst synchrotron total scattering measurements reveal the extent of local atomic order within Fe-BTC. We use a polymerisation-based algorithm to generate an atomistic structure for Fe-BTC, the first example of this methodology applied to the amorphous MOF field outside the well-studied zeolitic imidazolate framework family. This demonstrates the applicability of this computational approach towards the modelling of other amorphous MOF systems with potential generality towards all MOF chemistries and connectivities. We find that the structures of Fe-BTC and Basolite® F300 can be represented by models containing a mixture of short- and medium-range order with a greater proportion of medium-range order in Basolite® F300 than in Fe-BTC. We conclude by discussing how our approach may allow for high-throughput computational discovery of functional, amorphous MOFs.

scholarly journals Mixed Hierarchical Local Structure in a Disordered Metal–Organic Framework

2020 ◽  
Author(s):  
Adam Sapnik ◽  
Irene Bechis ◽  
Sean M. Collins ◽  
Duncan Johnstone ◽  
Giorgio Divitini ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Range Order ◽  
Zeolitic Imidazolate Framework ◽  
Medium Range Order ◽  
Structural Characterisation ◽  
Disordered Structures ◽  
Medium Range ◽  
Metal Organic ◽  
Computational Discovery ◽  
Atomistic Structure

Amorphous metal–organic frameworks (MOFs) are an emerging class of materials. However, their structural characterisation represents a significant challenge. Fe‑BTC, and the commercial equivalent Basolite® F300, are MOFs with incredibly diverse catalytic ability, yet their disordered structures remain poorly understood. Here, we use advanced electron microscopy to identify a nanocomposite structure of Fe‑BTC where nanocrystalline domains are embedded within an amorphous matrix, whilst synchrotron total scattering measurements reveal the extent of local atomic order within Fe‑BTC. We use a polymerisation-based algorithm to generate an atomistic structure for Fe-BTC, the first example of this methodology applied to the amorphous MOF field outside the well-studied zeolitic imidazolate framework family. This demonstrates the applicability of this computational approach towards the modelling of other amorphous MOF systems with potential generality towards all MOF chemistries and connectivities. We find that the structures of Fe-BTC and Basolite® F300 can be represented by models containing a mixture of short- and medium-range order with a greater proportion of medium-range order in Basolite® F300 than in Fe-BTC. We conclude by discussing how our approach may allow for high-throughput computational discovery of functional, amorphous MOFs.

scholarly journals Mixed Hierarchical Local Structure in a Disordered Metal–Organic Framework

2020 ◽  
Author(s):  
Adam Sapnik ◽  
Irene Bechis ◽  
Sean M. Collins ◽  
Duncan Johnstone ◽  
Giorgio Divitini ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Range Order ◽  
Zeolitic Imidazolate Framework ◽  
Medium Range Order ◽  
Structural Characterisation ◽  
Disordered Structures ◽  
Medium Range ◽  
Metal Organic ◽  
Computational Discovery ◽  
Atomistic Structure

Amorphous metal–organic frameworks (MOFs) are an emerging class of materials. However, their structural characterisation represents a significant challenge. Fe‑BTC, and the commercial equivalent Basolite® F300, are MOFs with incredibly diverse catalytic ability, yet their disordered structures remain poorly understood. Here, we use advanced electron microscopy to identify a nanocomposite structure of Fe‑BTC where nanocrystalline domains are embedded within an amorphous matrix, whilst synchrotron total scattering measurements reveal the extent of local atomic order within Fe‑BTC. We use a polymerisation-based algorithm to generate an atomistic structure for Fe-BTC, the first example of this methodology applied to the amorphous MOF field outside the well-studied zeolitic imidazolate framework family. This demonstrates the applicability of this computational approach towards the modelling of other amorphous MOF systems with potential generality towards all MOF chemistries and connectivities. We find that the structures of Fe-BTC and Basolite® F300 can be represented by models containing a mixture of short- and medium-range order with a greater proportion of medium-range order in Basolite® F300 than in Fe-BTC. We conclude by discussing how our approach may allow for high-throughput computational discovery of functional, amorphous MOFs.

scholarly journals Short and Medium-Range Order in Liquid Ternary Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 Alloys

2010 ◽  
Vol 65 (1-2) ◽  
pp. 123-131 ◽  
Author(s):  
Oleksandr S. Roik ◽  
Oleksiy Samsonnikov ◽  
Volodymyr Kazimirov ◽  
Volodymyr Sokolskii
Keyword(s):  
Three Dimensional ◽  
Range Order ◽  
Ternary Alloys ◽  
X Ray Diffraction ◽  
Medium Range Order ◽  
Intermediate Range Order ◽  
Transition Metal Atoms ◽  
Medium Range ◽  
Three Dimensional Models ◽  
Co Alloys

AbstractA local short-to-intermediate range order of liquid Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 alloys was examined by X-ray diffraction and the reverse Monte Carlo modelling. The comprehensive analysis of three-dimensional models of the liquid ternary alloys was performed by means of the Voronoi-Delaunay method. The existence of a prepeak on the S(Q) function of the liquid alloys is caused by medium range ordering of 3d-transition metal atoms in dense-packed polytetrahedral clusters at temperatures close to the liquidus. The non-crystalline clusters, represented by aggregates of pentagons that consist of good tetrahedra, and chemical short-range order lead to the formation of the medium range order in the liquid binary Al-Ni, Al-Co and ternary Al-Ni-Co alloys.

scholarly journals Templated interfacial synthesis of metal-organic framework (MOF) nano- and micro-structures with precisely controlled shapes and sizes

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Lingyao Meng ◽  
Binyu Yu ◽  
Yang Qin
Keyword(s):  
Crystal Growth ◽  
Metal Organic Framework ◽  
Reaction Conditions ◽  
Zeolitic Imidazolate Framework ◽  
Crystallographic Preferred Orientation ◽  
Metal Organic ◽  
Interfacial Synthesis ◽  
Oil Water ◽  
Synthesis Methodology ◽  
Micro Structures

AbstractMetal-organic frameworks (MOF) are an emerging class of microporous materials with promising applications. MOF nanocrystals, and their assembled super-structures, can display unique properties and reactivities when compared with their bulk analogues. MOF nanostructures of 0-D, 2-D, and 3-D dimensions can be routinely obtained by controlling reaction conditions and ligand additives, while formation of 1-D MOF nanocrystals (nanowires and nanorods) and super-structures has been relatively rare. We report here a facile templated interfacial synthesis methodology for the preparation of a series of 1-D MOF nano- and micro-structures with precisely controlled shapes and sizes. Specifically, by applying track-etched polycarbonate (PCTE) membranes as the templates and at the oil/water interface, we rapidly and reproducibly synthesize zeolitic imidazolate framework-8 (ZIF-8) and ZIF-67 nano- and micro structures of sizes ranging from 10 nm to 20 μm. We also identify a size confinement effect on MOF crystal growth, which leads to single crystals under the most restricted conditions and inter-grown polycrystals at larger template pore sizes, as well as surface directing effects that influence the crystallographic preferred orientation. Our findings provide a potentially generalizable method for controlling the size, morphology, and crystal orientations of MOF nanomaterials, as well as offering fundamental understanding into MOF crystal growth mechanisms.

The Structure of Ion-Implanted Amorphous Silicon

1998 ◽  
Vol 540 ◽  
Author(s):  
J. M. Gibson ◽  
J-Y. Cheng ◽  
P. Voyles ◽  
M.M.J. TREACY ◽  
D.C. Jacobson
Keyword(s):  
Amorphous Silicon ◽  
Network Model ◽  
Random Network ◽  
Amorphous Semiconductors ◽  
Range Order ◽  
Medium Range Order ◽  
Medium Range ◽  
Large Heat ◽  
Continuous Random Network ◽  
Ion Implanted

AbstractUsing fluctuation microscopy, we show that ion-implanted amorphous silicon has more medium-range order than is expected from the continuous random network model. From our previous work on evaporated and sputtered amorphous silicon, we conclude that the structure is paracrystalline, i.e. it possesses crystalline-like order which decays with distance from any point. The observation might pose an explanation for the large heat of relaxation that is evolved by ion-implanted amorphous semiconductors.

Atomic packing and short-to-medium-range order in metallic glasses

Nature ◽  
2006 ◽  
Vol 439 (7075) ◽  
pp. 419-425 ◽  
Author(s):  
H. W. Sheng ◽  
W. K. Luo ◽  
F. M. Alamgir ◽  
J. M. Bai ◽  
E. Ma
Keyword(s):  
Metallic Glasses ◽  
Range Order ◽  
Atomic Packing ◽  
Medium Range Order ◽  
Medium Range

Medium-Range Order of Amorphous Silicon Germanium Alloys: Small-Angle X-Ray Scattering Study

1989 ◽  
Vol 28 (Part 2, No. 7) ◽  
pp. L1092-L1095 ◽  
Author(s):  
Shin-ichi Muramatsu ◽  
Toshikazu Shimada ◽  
Hiroshi Kajiyama ◽  
Kazufumi Azuma ◽  
Takeshi Watanabe ◽  
...  
Keyword(s):  
Amorphous Silicon ◽  
Small Angle ◽  
Silicon Germanium ◽  
Range Order ◽  
Medium Range Order ◽  
X Ray ◽  
X Ray Scattering ◽  
Medium Range ◽  
Scattering Study ◽  
Amorphous Silicon Germanium

Metal–organic framework-derived CoSe2/(NiCo)Se2 box-in-box hollow nanocubes with enhanced electrochemical properties for sodium-ion storage and hydrogen evolution

2017 ◽  
Vol 5 (35) ◽  
pp. 18823-18830 ◽  
Author(s):  
Seung-Keun Park ◽  
Jin Koo Kim ◽  
Yun Chan Kang
Keyword(s):  
Electrochemical Properties ◽  
Hydrogen Evolution ◽  
Metal Organic Framework ◽  
Sodium Ion ◽  
Zeolitic Imidazolate Framework ◽  
Box Structures ◽  
Ion Storage ◽  
Metal Organic ◽  
Sodium Ion Storage ◽  
Organic Framework

Multishell structured metal selenide nanocubes, namely, Co/(NiCo)Se2 box-in-box structures with different shell compositions, were successfully synthesized by applying zeolitic imidazolate framework-67 (ZIF-67) as a template.

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