Christine E. A. Kirschhock
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View article: Competitive Adsorption of Toluene and Water in MFI-type Zeolites
Competitive Adsorption of Toluene and Water in MFI-type Zeolites Open
Competitive adsorption is a major challenge in understanding catalytic activity, selectivity and reaction mechanisms in confined environments such as zeolites. This study investigated competitive adsorption in MFI-type zeolites (ZSM-5) usi…
View article: Rietveld refinement and NMR crystallographic investigations of multicomponent crystals containing alkali metal chlorides and urea
Rietveld refinement and NMR crystallographic investigations of multicomponent crystals containing alkali metal chlorides and urea Open
New mechanochemical preparations of three multicomponent crystals (MCCs) of the form M Cl:urea· x H 2 O ( M = Li, Na and Cs) are reported. Their structures were determined by an NMR crystallography approach, combining Rietveld refinement o…
View article: Amorphous-to-Crystalline Transformation: How Cluster Aggregation Drives the Multistep Nucleation of ZIF-8
Amorphous-to-Crystalline Transformation: How Cluster Aggregation Drives the Multistep Nucleation of ZIF-8 Open
Nucleation, the pivotal first step of crystallization, governs the essential characteristics of crystallization products, including size distribution, morphology, and polymorphism. While understanding this process is paramount to the desig…
View article: A simple and robust high-pressure cell for transmission X-ray investigation
A simple and robust high-pressure cell for transmission X-ray investigation Open
A simple and robust high-pressure cell designed for in situ transmission X-ray crystallization studies is presented. The performance of the cell for in situ small/wide-angle X-ray scattering experiments and microscopy imaging is demonstrat…
View article: Ion exchange selectivity governs phase selection in zeolite synthesis
Ion exchange selectivity governs phase selection in zeolite synthesis Open
The cation with the highest selectivity coefficient for liquid aluminosilicate oligomers decides on zeolite phase selection.
View article: What drives porosity in aluminosilicate zeolites?
What drives porosity in aluminosilicate zeolites? Open
Phase selection, and thus porosity, in aluminiumsilicate zeolites is driven by competition between water and framework elements to coordinate with extra-framework cations.
View article: Simple Molecular Model for Hydrated Silicate Ionic Liquids, a Realistic Zeolite Precursor
Simple Molecular Model for Hydrated Silicate Ionic Liquids, a Realistic Zeolite Precursor Open
Despite the widespread use of zeolites in chemical industry, their formation\nprocess is not fully understood due to the complex and heterogeneous structure\nof traditional synthesis media. Hydrated silicate ionic liquids (HSILs) have\nbee…
View article: Crystal structures of potassium and cesium salts of adenine: the role of alkali cations
Crystal structures of potassium and cesium salts of adenine: the role of alkali cations Open
The structures of alkali-salts of adenine and guanine are described from the perspective of the cations. Their relative affinity for interaction with oxygen or nitrogen of the nucleobase or with water governs the crystallisation of the sal…
View article: Replication Data for: In situ polymerization measurement during zeolite formation employing a differential impedance approach
Replication Data for: In situ polymerization measurement during zeolite formation employing a differential impedance approach Open
In situ MEEIS data
View article: In-Situ Polymerization Measurement During Zeolite Formation Employing a Differential Impedance Approach
In-Situ Polymerization Measurement During Zeolite Formation Employing a Differential Impedance Approach Open
Studying the kinetics of crystal formation is essential to understand the self-assembly of complex, functional materials. Methods like in-situ X-ray scattering or in-situ nuclear magnetic resonance spectroscopy are costly and therefore rar…
View article: Illuminating the Black Box: A Perspective on Zeolite Crystallization in Inorganic Media
Illuminating the Black Box: A Perspective on Zeolite Crystallization in Inorganic Media Open
ConspectusSince the discovery of synthetic zeolites in the 1940s and their implementation in major industrial processes involving adsorption, catalytic conversion, and ion exchange, material scientists have targeted the rational design of …
View article: Generation and Observation of Long-Lasting and Self-Sustaining Marangoni Flow
Generation and Observation of Long-Lasting and Self-Sustaining Marangoni Flow Open
When solute molecules in a liquid evaporate at the surface, concentration gradients can lead to surface tension gradients and provoke fluid convection at the interface, a phenomenon commonly known as the Marangoni effect. Here, we demonstr…
View article: Does Water Enable Porosity in Aluminosilicate Zeolites? Porous Frameworks versus Dense Minerals
Does Water Enable Porosity in Aluminosilicate Zeolites? Porous Frameworks versus Dense Minerals Open
Recently identified zeolite precursors consisting of concentrated, hyposolvated homogeneous alkalisilicate liquids, hydrated silicate ionic liquids (HSIL), minimize correlation of synthesis variables and enable one to isolate and examine t…
View article: Structural Aspects Affecting Phase Selection in Inorganic Zeolite Synthesis
Structural Aspects Affecting Phase Selection in Inorganic Zeolite Synthesis Open
A guideline for zeolite phase selection in inorganic synthesis media is proposed, based on a systematic exploration of synthesis from inorganic media using liquid Na+, K+, and Cs+ aluminosilicate. Although the Si/Al ratio of the zeolites i…
View article: Replication Data for: Framework flexibility-driven CO2 adsorption on a zeolite
Replication Data for: Framework flexibility-driven CO2 adsorption on a zeolite Open
NMR Replication data
View article: Replication Data for: Hydrogen-Bonded Water-Aminium Assemblies for Synthesis of Zeotypes with Ordered Heteroatoms
Replication Data for: Hydrogen-Bonded Water-Aminium Assemblies for Synthesis of Zeotypes with Ordered Heteroatoms Open
Replication Data
View article: Hydrogen-Bonded Water-Aminium Assemblies for Synthesis of Zeotypes with Ordered Heteroatoms
Hydrogen-Bonded Water-Aminium Assemblies for Synthesis of Zeotypes with Ordered Heteroatoms Open
Water plays a central role in the crystallization of a variety of organic, inorganic, biological, and hybrid materials. This is also true for zeolites and zeolite-like materials, an important class of industrial catalysts and adsorbents. W…
View article: How Water and Ion Mobility Affect the NMR Fingerprints of the Hydrated JBW Zeolite: A Combined Computational‐Experimental Investigation
How Water and Ion Mobility Affect the NMR Fingerprints of the Hydrated JBW Zeolite: A Combined Computational‐Experimental Investigation Open
An important aspect within zeolite synthesis is to make fully tunable framework materials with controlled aluminium distribution. A major challenge in characterising these zeolites at operating conditions is the presence of water. In this …
View article: Nucleation of Porous Crystals from Ion-Paired Prenucleation Clusters
Nucleation of Porous Crystals from Ion-Paired Prenucleation Clusters Open
Current nucleation models propose manifold options for the formation of crystalline materials. Exploring and distinguishing between different crystallization pathways on the molecular level however remain a challenge, especially for comple…
View article: HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility
HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Open
A reproducible synthesis strategy for ultracrystalline K,Na-aluminosilicate JBW zeolite is reported. The synthesis uses a Na-based hydrated silicate ionic liquid (HSIL) as a silicon source and gibbsite as the aluminum source. 27Al and 23Na…
View article: Ion-Pairs in Aluminosilicate-Alkali Synthesis Liquids Determine the Aluminum Content and Topology of Crystallizing Zeolites
Ion-Pairs in Aluminosilicate-Alkali Synthesis Liquids Determine the Aluminum Content and Topology of Crystallizing Zeolites Open
Using hydrated silicate ionic liquids, phase selection and framework silicon-to-aluminum ratio during inorganic zeolite synthesis were studied as a function of batch composition. Consisting of homogeneous single phasic liquids, this synthe…
View article: Hierarchical COK-X Materials for Applications in Catalysis and Adsorptive Separation and Controlled Release
Hierarchical COK-X Materials for Applications in Catalysis and Adsorptive Separation and Controlled Release Open
Over the years, COK has developed a family of silicate materials and metal–organic framework hybrids with hierarchical porosity and functionality, coined zeogrids, zeotiles, and COK-x (stemming from the Flemish name of the laboratory “Cent…
View article: Understanding crystal nucleation mechanisms: where do we stand? General discussion
Understanding crystal nucleation mechanisms: where do we stand? General discussion Open
Kristen Fichthorn opened the discussion of the introductory lecture by James De Yoreo: I noted that in your potential of mean force (PMF) plots for various particle orientations, fluctuations occur such that different orientations could be…
View article: A zeolite crystallisation model confirmed by <i>in situ</i> observation
A zeolite crystallisation model confirmed by <i>in situ</i> observation Open
Zeolite crystallisation was followed in situ using moving electrode electrochemical impedance spectroscopy. Zeolite nucleation and growth could be modeled by a two-step mechanism.
View article: NMR Crystallography Reveals Carbonate Induced Al‐Ordering in ZnAl Layered Double Hydroxide
NMR Crystallography Reveals Carbonate Induced Al‐Ordering in ZnAl Layered Double Hydroxide Open
Layered double hydroxides (LDHs) serve a score of applications in catalysis, drug delivery, and environmental remediation. Smarter crystallography, combining X‐ray diffraction and NMR spectroscopy revealed how interplay between carbonate a…
View article: CSD 2094424: Experimental Crystal Structure Determination
CSD 2094424: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2094422: Experimental Crystal Structure Determination
CSD 2094422: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…