Though generally considered insulating, recent progress on the discovery of conductive porous metal-organic frameworks (MOFs) offers new opportunities for their integration as electroactive components in electronic devices. Compared to classical semiconductors, these hybrids combine crystallinity inorganic materials with easier chemical functionalization and processability. Still, future development depends ability produce high-quality films fine control over orientation, crystallinity,...

Membranes with high selectivity offer an attractive route to molecular separations, where technologies such as distillation and chromatography are energy intensive. However, it remains challenging fine tune the structure porosity in membranes, particularly separate molecules of similar size. Here, we report a process for producing composite membranes that comprise crystalline porous organic cage films fabricated by interfacial synthesis on polyacrylonitrile support. These exhibit ultrafast...

Abstract Crystallization and phase segregation during thermal annealing lead to the increase of power‐conversion efficiency in poly(3‐hexylthiophene) (P3HT):[6,6]‐phenyl C61‐butyric acid methyl ester (PCBM) bulk‐heterojunction solar cells. An understanding length time scale on which crystallization occur is important improve control nanomorphology. monitored by means grazing incidence X‐ray diffraction real annealing. Furthermore, change film density ellipsometry evolution carrier mobilities...

Beamline I07 at Diamond Light Source is dedicated to the study of structure surfaces and interfaces for a wide range sample types, from soft matter ultrahigh vacuum. The beamline operates in energy 8–30 keV has two endstations. first houses 2+3 diffractometer, which acts as versatile platform grazing-incidence techniques including surface X-ray diffraction, small- (and wide-) angle scattering, reflectivity diffraction. A method deflecting X-rays (a double-crystal deflector) been designed...

Two-dimensional polymers (2DPs) are a class of atomically/molecularly thin crystalline organic 2D materials. They intriguing candidates for the development unprecedented organic-inorganic van der Waals heterostructures (vdWHs) with exotic physicochemical properties. In this work, we demonstrate on-water surface synthesis large-area (cm2 ), monolayer polyimide (2DPI) 3.1-nm lattice. Such 2DPI comprises metal-free porphyrin and perylene units linked by imide bonds. We further achieve scalable...

The surface structure of the prototypical topological insulator Bi${}_{2}$Se${}_{3}$ is determined by low-energy electron diffraction and x-ray at room temperature. Both approaches show that crystal terminated an intact quintuple layer. Specifically, alternative termination a bismuth bilayer ruled out. Surface relaxations obtained both techniques are in good agreement with each other found to be small. This includes relaxation van der Waals gap between first two layers.

X-ray optics, based on a double-crystal deflection scheme, that enable reflectivity measurements from liquid surfaces/interfaces have been designed, built and commissioned beamline I07 at Diamond Light Source. This system is able to deflect the beam onto fixed sample position located centre of five-circle diffractometer. Thus incident angle can be easily varied without moving sample, reflected tracked either by Pilatus 100K detector mounted diffractometer arm or stationary 2M positioned...

The phase changes that occur during discharge of an electrode comprised LiFePO4, carbon, and PTFE binder have been studied in lithium half cells by using X-ray diffraction measurements reflection geometry. Differences the state charge between front back LiFePO4 electrodes visualized. By modifying incident angle depth penetration beam into was altered, allowing for examination any concentration gradients were present within electrode. At high rates side facing current collector underwent...

Abstract Due to their excess surface free energy and structural instabilities, nanoparticles exhibit interesting physical chemical properties. There has been an ever-growing interest in investigating these properties, driven by the desire further miniaturize electronic devices, develop new functional materials catalysts. Here, intriguing question of how diffusion evolves a single nanoparticle is investigated measuring spatial temporal variations diffracted coherent X-ray intensity during...

X-ray diffraction has been used to probe the radiolytic corrosion of uranium dioxide. Single crystal thin films UO(2) were exposed an intense beam at a synchrotron source in presence water, order simultaneously provide radiation fields required split water into highly oxidising products, and structure composition layer, morphology UO(2)/water interface. By modeling electron density, surface roughness layer thickness, we have able reproduce observed reflectivity profiles detect changes oxide...

Using surface x-ray diffraction (SXRD), quantitative low-energy electron (LEED), and density-functional theory (DFT) calculations, we have determined the structure of ($4\ifmmode\times\else\texttimes\fi{}1$) reconstruction formed by sputtering annealing ${\mathrm{SnO}}_{2}(110)$ surface. We find that consists an ordered arrangement ${\mathrm{Sn}}_{3}{\mathrm{O}}_{3}$ clusters bound atop bulk-terminated The model was found application a DFT-based evolutionary algorithm with compositions based...

We present the electronic and structural properties of monolayer ${\mathrm{WSe}}_{2}$ grown by pulsed-laser deposition on graphene (MLG) SiC. The spin splitting in valence band at $\overline{\mathrm{K}}$ was ${\mathrm{\ensuremath{\Delta}}}_{\mathrm{SO}}=0.469\ifmmode\pm\else\textpm\fi{}0.008$ eV, as determined angle-resolved photoemission spectroscopy. Synchrotron-based grazing-incidence in-plane x-ray diffraction (XRD) revealed lattice constant to be...

We present a combined experimental and theoretical study to solve the unit-cell molecular arrangement of tetracene thin film (TF) phase. TF phases, also known as substrate induced phases (SIPs), are polymorphs that exist at interfaces decisively impact functionality organic films, e.g., in transistor channel, but change optical spectra due different packing. As SIPs only textured ultrathin their structure determination remains challenging compared bulk materials. Here, we use grazing...

The effect of lipid composition on models the inner leaflet mammalian cell membranes has been investigated. Grazing incidence X-ray diffraction and neutron reflectivity have used to characterize packing solvation, while electrochemical infrared spectroscopic methods employed probe phase behavior in an applied electric field. Introducing a small quantity anionic dimyristoylphosphatidylserine (DMPS) into bilayers zwitterionic dimyristoylphosphatidylethanolamine (DMPE) results significant...

The growth-kinetics of PCBM crystals, on two different length-scales, is controlled by the thickness polymer layer within a PCBM–polymer bilayer.

In situ wide-angle X-ray scattering (WAXS) has been measured during the spin coating process used to make precursor films required for formation of thin perovskite. A customized hollow axis coater was developed permit scattered X-rays be collected in transmission geometry deposition process. Spin is technique most commonly laboratories perovskite films. The dynamics spin-casting MAPbI3-x Cl x and FAPbI3-x have investigated compared investigate differences between film formation. particular,...

With the retention of many unrivaled properties bulk diamond but in thin-film form, nanocrystalline (NCD) has applications ranging from micro-/nano-electromechanical systems to tribological coatings. However, with Young's modulus, transparency, and thermal conductivity films all dependent on grain size nondiamond content, compositional structural analysis initial stages growth is required optimize growth. Spectroscopic ellipsometry (SE) therefore been applied characterization 25-75 nm thick...

The phase changes that occur during lithium extraction from LiCoPO₄ under constant or pulsed current were studied using synchrotron X-ray diffraction.

Lipid cubic phase samples dry out and undergo transitions when exposed to air. We demonstrate experimentally theoretically that adding glycerol controllably lowers the humidity at which phases form. These results broaden potential applications of open up a new humidity-responsive nanomaterial.

The working electrode of a dye-sensitized solar cell (DSSC) consists dye molecules adsorbed onto nanoparticles semiconductor such as TiO2. A reliable prediction the DSSC photovoltaic performance given requires in-depth knowledge about precise structure dye···TiO2 interface. X-ray reflectometry (XRR) and grazing-incidence small-angle scattering (GISAXS) are herein employed to determine interfacial associated aggregation behavior three high-performance dyes, i.e., metal-free organic dye, MK-2,...

Understanding the nanostructure and nanomechanical properties of surface layers erucamide, in particular molecular orientation outermost layer, is important to its widespread use as a slip additive polymer materials. Extending our recent observations nanomorphologies erucamide on hydrophilic silica substrate, here we evaluate more hydrophobic polypropylene surface. Atomic force microscopy (AFM) imaging revealed packing, thickness, coverage layers, while peak quantitative mapping (QNM) showed...

Periodically arranged, monodisperse gold nanoparticles supported on flat silicon substrates were studied for the hydrogenation of 1,3-butadiene under operando conditions using Grazing Incidence Small- and Wide-Angle X-ray Scattering (GISAXS/GIWAXS). It was found that composition shape depends very much chemical environment; particles are shown to be dynamic, undergoing reversible size change particularly during catalytic reaction, highlighting a dynamism often not observed in traditional...

Understanding how diffusion takes place within nanocrystals is of great importance for their stability and controlling synthesis. In this study, we used the strain sensitivity Bragg coherent diffraction imaging (BCDI) to study iron into individual gold in situ at elevated temperatures. The BCDI experiments were performed I-07 beamline Diamond Light Source, UK. pattern was measured around (11-1) peak before after deposition as a function temperature time. Phase retrieval algorithms obtain...

Abstract Using molecular simulation to aid in the analysis of neutron reflectometry measurements is commonplace. However, a tool probe large-scale structures, and therefore use all-atom may be irrelevant. This work presents first direct comparison between profiles obtained from different coarse-grained dynamics simulations. These are compared with traditional model layer structure method determine minimum resolution required accurately reproduce experimental data. We find that systematic...