Themed collection Understanding Crystallisation

Here we report the full thermal characterization of an n-type NDI derivative semiconductor, NDI-C6. It has five polymorphs, Form ε is only obtained in thin films.

A personal impression of the progress that has been made towards appreciating the complexity of crystallisation over the past forty years, to put this Faraday Discussion in context.

This paper reviews the theoretical background of the ΔpK_a rule and highlights the crucial role of solvation in determining the outcome of the potential proton transfer from acid to base.

This paper investigates the significance of atomic-scale surface defects on the mobility of ions. Findings suggest that certain topological features can act as active sites to promote ion clustering and increase local ionic concentration.

This study analysed for the first time heterogeneous nucleation with anisotropic nanoparticles as a model system for non-spherical building units.

We review recent investigations into crystal growth by particle attachment, with an emphasis on oriented attachment.

We report the role of an amorphous phase and embryo at the beginning of the nucleation of CaCO₃ from solutions of relatively low supersaturation.

Many carbonate superlattices form in nature, including dolomite and norsethite. Here, we show that carbonate superlattice ordering can be driven by short-range structure that is controlled by carbonate ion (re)orientation.

Comparison between solid- and solution-state intermolecular interactions identify solvent-dependant pathways directing crystallisation into different polymorphic forms.

With the aim of quantifying nucleation kinetics, a method for induction time measurement on sessile microdroplets has been developed based on deliquescence–efflorescence cycle and image analysis.

A kinetic Monte Carlo approach for modelling crystal growth, allowing simulation of crystal habit and surface fine structure in materials containing high levels of stacking faults.

A nucleation pathway based on the mesoscopic nucleation theory reveals that precursor clusters are purely induced by kinetics.

Secondary nucleation is the dominant nucleation mechanism, even under conditions considered to lead to primary nucleation. The highly productive antisolvent crystallization is therefore a viable crystallization-enhanced deracemization technique to control product chirality.

Patches of (100) crystalline surface in perthite feldspars are confirmed to induce ice nucleation in liquid water and from water vapor.

This paper discusses possible mechanisms for polymorph selection during crystallization of CaCO₃ in confinement.

The structures of the dominant solute species and of the incorporating solute complexes do not correlate with the symmetry of the crystal lattice. Crystal symmetry provides no shortcuts on the road to the understanding and control of crystallization.

Zeolite crystallisation was followed in situ using moving electrode electrochemical impedance spectroscopy. Zeolite nucleation and growth could be modeled by a two-step mechanism.

The theory of the growth of a multicomponent crystal, considering the diffusion and generation of advacancies and applied stress, is developed.

This study examines ways to manipulate the composition and colloidal stability of amorphous (alumino)silicate precursors that are prevalent in nanoporous zeolite syntheses.

The flux of trajectories in an extended reaction coordinate space characterising NaCl crystal nucleation pathways from biased and unbiased molecular dynamics simulations reveals multiple routes to phase separation far into the metastable zone.

We used first-principles density-functional theory and absorbing Markov chains to quantify the role of iodine in the solution-phase growth of Cu microplates.

This study suggests that the heterogeneous surface enhances the nucleation rate via hydrogen bond formation with both glycine and diglycine.

By analysing transition path sampling trajectories, we show that dynamical heterogeneity plays a key role in the mechanism of crystal nucleation in an elemental metal, nickel

Occlusion of micron-sized algae cells and calcitic hollow spheres within calcite single crystals, mediated by the positively charged polymer poly(allylamine hydrochloride). Both objects are used to transport functional additives to the host lattice.

We explore solvent-mediated isotope effects of H₂O vs. D₂O in the early stages of CaCO₃ formation, computationally and experimentally. Distinct and complex effects occur, while nucleation appears to proceed “more classically” in D₂O than in H₂O.

We have investigated the calcite growth mechanism by directly imaging atomic-scale structural changes at the growing step edges with high-speed frequency modulation atomic force microscopy (HS-FM-AFM).