Crystallization of FAPbI<sub>3</sub>: Polytypes and stacking faults

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The mechanical performance-including deformation, fracture and radiation damage-of zirconium is determined at the atomic scale. With Zr and its alloys extensively used in the nuclear industry, understanding that atomic scale behavior is crucial. The defect ...

Understanding grain morphology and kinetics of solid-phase crystallization is important for controlling the functional properties of polycrystalline materials. Here, in situ coherent X-ray diffraction imaging and transmission electron microscopy elucidate ...

Significant advances have been made in the synthesis of chemically selective environments within metal-organic frameworks, yet materials development and industrial implementation have been hindered by the inability to predictively control crystallite size ...

It has been discovered quite recently that Icosahedral Short-Range Order (ISRO) of atoms in the liquid phase of metallic alloys surrounding some trace elements added to the melt can influence both the nucleation and growth of the primary phase. In this wor ...

We used molecular dynamics simulations to predict the steady state crystal shape of naphthalene grown from ethanol solution. The simulations were performed at constant supersaturation by utilizing a recently proposed algorithm [Perego et al., J. Chem. Phys ...

We explore two methods for single-crystal growth of the theoretically proposed magnetic Weyl semimetals RAlGe (R = Pr, Ce), which prove that a floating-zone technique, being both crucible- and flux-free, is crucial to obtain perfectly stoichiometric RAlGe ...

The computational prediction of crystal structures has emerged as an useful alternative to expensive and often cumbersome experiments. We propose an approach to the prediction of crystal structures and polymorphism based on reproducing the crystallization ...

In the ongoing intense quest to increase the performance of perovskite solar cells, optimizing the morphology of perovskite material has become imperative to achieve high power conversion efficiencies. Despite the fact that nucleation plays a key role in c ...

Single crystal growth by chemical vapour transport has resulted samples with Fe1.35Ge stoichiometry. Structural study has shown that the large number of vacancies introduces an incommensuately modulated structure. The electrical resistivity is in the 200 m ...

We present force fields developed from periodic density functional theory (DFT) calculations that can be used in classical molecular simulations to model M MOF-74 (M = Co, Fe, Mg, Mn, Ni, Zn) and its extended linker analogs. Our force fields are based on c ...

The mechanical behavior of cold-rolled Mg AZ31B is studied during in-plane multiaxial loading and tension-tension strain path changes performed on cruciform samples using in situ neutron diffraction and EBSD. The results are compared with uniaxial tension ...

Cyanine dyes are organic semiconductor compounds with light absorption and emission properties useful for emerging technologies such as solar cells and light-emitting devices. The characteristics of these materials in the solid state depend on their organi ...

In order to achieve high-efficiency perovskite solar cells, understanding both the crystal structure and the optoelectronic properties of perovskite layers is of importance. This paper uses crystallization analysis and the modeling study of two different p ...

In situ investigations of rapid solidification in polycrystalline Al thin films were conducted using nano-scale spatio-temporal resolution dynamic transmission electron microscopy. Differences in crystal growth rates and asymmetries in melt pool developmen ...

A key parameter in the study of magma evolution is the time scale on which magmatic processes occur. Using nanoscale secondary ion mass spectrometry (NanoSIMS), SIMS, and cathodoluminescence (CL) analyses, we have measured titanium (Ti) diffusion profiles ...

Modeling of the kinetics of the synthesis process for calcium sulfate alpha-hemihydrate from gypsum formed by flue gas desulfurization (FGD) is important to produce high-performance products with minimal costs and production cycles under hydrothermal condi ...

Formulation of hydrophobic drugs as amorphous materials is highly advantageous as this increases their solubility in water and therefore their bioavailability. However, many drugs have a high propensity to crystallize during production and storage, limitin ...

Crystallization of FAPbI<sub>3</sub>: Polytypes and stacking faults

Chattez avec Graph Search

Vacancy segregation and intrinsic coordination defects at (111) twist grain boundaries in diamond

Microfluidic study in a meter-long reactive path reveals how the medium’s structural heterogeneity shapes MICP-induced biocementation

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Machine learning for metallurgy V: A neural-network potential for zirconium

Three-dimensional in situ imaging of single-grain growth in polycrystalline In2O3:Zr films

Buffered Coordination Modulation as a Means of Controlling Crystal Morphology and Molecular Diffusion in an Anisotropic Metal-Organic Framework

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Naphthalene crystal shape prediction from molecular dynamics simulations

Bulk single-crystal growth of the theoretically predicted magnetic Weyl semimetals RAlGe (R = Pr, Ce)

Entropy as a tool for crystal discovery

Atomistic Mechanism of the Nucleation of Methylammonium Lead Iodide Perovskite from Solution

The influence of the incommensurately modulated structure on the physical properties of Fe1.35Ge

Ab Initio Flexible Force Field for Metal-Organic Frameworks Using Dummy Model Coordination Bonds

In situ tension-tension strain path changes of cold-rolled Mg AZ31B

Spatial and Morphological Control of Cyanine Dye Thin Films

Unveiling the Concentration-Dependent Grain Growth of Perovskite Films from One- and Two-Step Deposition Methods: Implications for Photovoltaic Application

Determination of crystal growth rates during rapid solidification of polycrystalline aluminum by nano-scale spatio-temporal resolution in situ transmission electron microscopy

Short magmatic residence times of quartz phenocrysts in Patagonian rhyolites associated with Gondwana breakup

Kinetic model for calcium sulfate alpha-hemihydrate produced hydrothermally from gypsum formed by flue gas desulfurization

Crystallization of undercooled liquid fenofibrate