Scientists design organic cathode for high performance batteries

The new, sulfur-based material is more energy-dense, cost-effective, and environmentally friendly than traditional cathodes in lithium batteries.

Researchers at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have designed a new, organic cathode material for lithium batteries. With sulfur at its core, the material is more energy-dense, cost-effective, and environmentally friendly than traditional cathode materials in lithium batteries. The research was published in Advanced Energy Materials on April 10, 2019.

Optimizing cathode materials

From smartphones to electric vehicles, the technologies that have become central to everyday life run on lithium batteries. And as the demand for these products continues to rise, scientists are investigating how to optimize cathode materials to improve the overall performance of lithium battery systems.
“Commercialized lithium-ion batteries are used in small electronic devices; however, to accommodate long driving ranges for electric vehicles, their energy density needs to be higher,” said Zulipiya Shadike, a research associate in Brookhaven’s Chemistry Division and the lead author of the research. “We are trying to develop new battery systems with a high energy density and stable performance.”

>Read more on the NSLS-II website

Image: Lead author Zulipiya Shadike (right) is pictured at NSLS-II’s XPD beamline with lead beamline scientist and co-author Sanjit Ghose (left).

A novel synchrotron technique for studying diffusion in solids

Bragg coherent diffraction imaging (BCDI) offers insights for nanoparticle synthesis

Understanding and controlling how the diffusion process works at the atomic scale is an important question in the synthesis of materialsFor nanoparticles, the stability, size, structure, composition, and atomic ordering are all dependent on position inside the particle, and diffusion both affects all of these properties and is affected by them. A more thorough understanding of the mechanisms and effects of diffusion in nanocrystals will help to develop controlled synthesis methods to obtain the particular properties; however, conventional methods for studying diffusion in solids all have limitations.
Given the need for imaging techniques that are sensitive to slower dynamics and allow the diffusion behaviour in individual nanocrystals to be investigated at the atomic scale and in three dimensions (3D), a team of researchers used the strain sensitivity of Bragg coherent diffraction imaging (BCDI) to study the diffusion of iron into individual gold nanocrystals in situ at elevated temperatures. Their work was recently published in the New Journal of Physics.

Image, third of three figures: Reconstructed amplitude and phase images near the centre of the nanocrystals before and after iron deposition (1 pixel = 16.28 nm). The direction of the Q-vector, which is along the (11-1) direction, is shown by the arrow in the control phase images. See all here.

New lens system for brighter, sharper diffraction images

Researchers from Brookhaven Lab designed, implemented, and applied a new and improved focusing system for electron diffraction measurements.

To design and improve energy storage materials, smart devices, and many more technologies, researchers need to understand their hidden structure and chemistry. Advanced research techniques, such as ultra-fast electron diffraction imaging can reveal that information. Now, a group of researchers from the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have developed a new and improved version of electron diffraction at Brookhaven’s Accelerator Test Facility (ATF)—a DOE Office of Science User Facility that offers advanced and unique experimental instrumentation for studying particle acceleration to researchers from all around the world. The researchers published their findings in Scientific Reports, an open-access journal by Nature Research.
Advancing a research technique such as ultra-fast electron diffraction will help future generations of materials scientists to investigate materials and chemical reactions with new precision. Many interesting changes in materials happen extremely quickly and in small spaces, so improved research techniques are necessary to study them for future applications. This new and improved version of electron diffraction offers a stepping stone for improving various electron beam-related research techniques and existing instrumentation.

>Read more on the NSLS-II at Brookhaven Lab website

Image: Mikhail Fedurin, Timur Shaftan, Victor Smalyuk, Xi Yang, Junjie Li, Lewis Doom, Lihua Yu, and Yimei Zhu are the Brookhaven team of scientists that realized and demonstrated the new lens system for as ultra-fast electron diffraction imaging.

Superconductor exhibits “glassy” electronic phase

The study provides valuable insight into the nature of collective electron behaviors and how they relate to high-temperature superconductivity.

At extremely low temperatures, superconductors conduct electricity without resistance, a characteristic that’s already being used in cryogenically cooled power lines and quantum-computer prototypes. To apply this characteristic more widely, however, it’s necessary to raise the temperature at which materials become superconducting. Unfortunately, the exact mechanism by which this happens remains unclear.

Recently, scientists found that electrons in cuprate superconductors can self-organize into charge-density waves—periodic modulations in electron density that hinder the flow of electrons. As this effect is antagonistic to superconductivity, tremendous effort has been devoted to fully characterizing this charge-order phase and its interplay with high-temperature superconductivity.

>Read more on the Advanced Light Source at L. Berkeley Lab website

Image: At low doping levels, the charge correlations in the copper–oxide plane possess full rotational symmetry (Cinf) in reciprocal space (left), in marked contrast to all previous reports of bond-oriented charge order in cuprates. In real space (right), this corresponds to a “glassy” state with an apparent tendency to periodic ordering, but without any preference in orientation (scale bar ~5 unit cells).

A new twist in soft x-ray beams

Light waves, when generated a certain way, can exert twisting forces on matter. In the visible-light regime, such beams have been used as “optical tweezers” to trap and manipulate tiny particles (like a tractor beam) or to detect rotational motion in targets. Now, the ability to generate beams with a specific type of rotational character, known as orbital angular momentum (OAM), has been extended to the soft x-ray regime. The work lays the foundation for a new type of soft x-ray contrast mechanism that could provide access to previously hidden material properties.
In a recently published Nature Photonics paper, researchers from the Advanced Light Source (ALS) and the University of Oregon reported on the fabrication and testing of specialized diffraction gratings that, when placed in the coherent light of ALS Beamline 12.0.2, produce OAM soft x-ray beams of exceptionally high quality.

>Read more on the Advanced Light Source website

Image: A  flower-like interference pattern generated by a special diffraction grating that superposes two different orbital angular momentum (OAM) modes on a soft x-ray beam.

Optical ​“tweezers” combine with X-rays to enable analysis of crystals in liquids

Understanding how chemical reactions happen on tiny crystals in liquid solutions is central to a variety of fields, including materials synthesis and heterogeneous catalysis, but obtaining such an understanding requires that scientists observe reactions as they occur.

By using coherent X-ray diffraction techniques, scientists can measure the exterior shape of and strain in nanocrystalline materials with a high degree of precision. However, carrying out such measurements requires precise control of the position and angles of the tiny crystal with respect to the incoming X-ray beam. Traditionally, this has meant adhering or gluing the crystal to a surface, which in turn strains the crystal, thus altering its structure and potentially affecting reactivity.

>Read more on the Advanced Photon Source at Argonne Laboratory website

Image: Scientists have found a way to use “optical tweezers” by employing lasers, a mirror and a light modulator to anchor a crystal in solution. The “tweezers” have made it possible to conduct X-ray diffraction measurements of a crystal suspended in solution.
Credit: Robert Horn/Argonne National Laboratory.

Doped epitaxial graphene close to the Lifshitz transition

Graphene, an spbonded sheet of carbon atoms, is still attracting lots of interest almost 15 years after its discovery. Angle-resolved photoemission spectroscopy (ARPES) is a uniquely powerful method to study the electronic structure of graphene and it has been used extensively to study the coupling of electrons to lattice vibrations (phonons) in doped graphene. This electron-phonon coupling (EPC) manifests as a so-called “kink” feature in the electronic band structure probed by ARPES. What is much less explored is the effect of EPC on the phonon structure. A very accurate probe of the phonons in graphene is Raman spectroscopy.
M.G. Hell and colleagues from Germany, Italy, Indonesia, and Japan combined ARPES (carried out at the BaDelPhbeamline – see Figure 1) with low energy electron diffraction (LEED) and Raman spectroscopy (carried out at the University of Cologne in Germany) in a clever way to fully understand the coupled electron-phonon system in alkali metal doped graphene. LEED revealed ordered (1×1), (2×2), and (sqrt3xsqrt3)R30°adsorbate patterns with increasing alkali metal deposition. The ARPES analysis yielded not only the carrier concentration but also the EPC coupling constant. Ultra-High Vacuum (UHV) Raman spectra carried out using identically prepared samples with the very same carrier concentrations provided the EPC induced changes in the phonon frequencies.

>Read more on the Elettra Sincrotrone Trieste website

Image:  Top: ARPES spectra along the Γ-K-M high symmetry direction of the hexagonal Brillouin zone for Cs doped graphene/Ir(111) with increasing Cs deposition. The Dirac energy ED and the observed LEED reconstruction are also indicated. Bottom: Corresponding Fermi surfaces at the indicated charge carrier concentration. 

Ultralow-fluence for phase-change process

Ultrafast active materials with tunable properties are currently investigated for producing successful memory and data-processing devices. Among others, Phase-Change Materials (PCMs) are eligible for this purpose. They can reversibly switch between a high-conductive crystalline state (SET) and a low-conductive amorphous state (RESET), defining a binary code. The transformation is triggered by an electrical or optical pulse of different intensity and time duration. 3D Ge-Sb-Te based alloys, of different stoichiometry, are already employed in DVDs or Blu-Ray Disks, but they are expected to function also in non-volatile memories and RAM. The challenge is to demonstrate that the scalability to 2D, 1D up to 0D of the GST alloys improves the phase-change process in terms of lower power threshold and faster switching time. Nowadays, GST thin films and nanoparticles have been synthetized and have beenshown to function with competitive results.
A team of researchers from the University of Trieste and the MagneDyn beamline at Fermi demonstrated the optical switch from crystalline to amorphous state of Ge2Sb2Te5nanoparticles (GST NPs) with size <10 nm, produced via magnetron sputtering by collaborators from the University of Groeningen. Details were reported in the journal Nanoscale.
This work aims at showing the very low power limit of an optical pulse needed to amorphize crystalline Ge2Sb2Te5 nanoparticles. Particles of 7.8 nm and 10.4 nm diameter size were deposited on Mica and capped with ~200nm of PMMA. Researchers made use of a table-top Ti:Sapphire regenerative amplified system-available at the IDontKerr (IDK) laboratory (MagneDyn beamline support laboratory) to produce pump laser pulses at 400 nm, of ~100 fs and with a repetition rate from 1kHz to single shot.

>Read more on the Elettra Sincrotrone Trieste website

Image (extract): Trasmission Electron Microscopy image of the nanoparticles sample. Ultafast single-shot optical process with fs-pulse at 400 nm. Microscope images of amorphized and amorphized/ablated areas obtained on the nanoparticles sample. Comparison of amorphization threshold fluences between thin films and nanoparticles cases.
Please see here the entire image.

A super-relaxed myosin state to offset hypertrophic cardiomyopathy

At its most basic level, the proper functioning of the heart depends upon the intricate interaction of proteins that trigger, maintain, and control the muscular contractions and relaxations of this vital organ. Disruption of those interactions can cause serious pathologies such as hypertrophic cardiomyopathy (HCM). Such disruptions can originate with mutations in the primary motor protein involved in heart contraction, ß-cardiac myosin, which can alter the rate of ATP hydrolysis and have been hypothesized to destabilize its super-relaxed state (SRX). Researchers investigated the stabilizing action of mavacamten, a cardiac drug currently in phase 3 clinical trials, on the ß-cardiac myosin super-relaxed state and its possible therapeutic effects on HCM. Their work, which included electron microscopy and low-angle x-ray diffraction at the U.S. Department of Energy’s Advanced Photon Source (APS), was published in Proceedings of the National Academies of Sciences of the United States of America.

Previous work had hinted that a folded state of the myosin protein, seen both in purified form and in isolated filaments and known as the interacting-heads motif or IHM, could be analogous to the SRX state, although this has not yet been demonstrated experimentally. It has been proposed that mutations causing HCM disrupt this state, resulting in a higher percentage of myosin heads being available for interaction with actin and leading to the hypercontractility of cardiac tissue seen in HCM. These investigators, from  MyoKardia, Inc., the Stanford University School of Medicine, the Illinois Institute of Technology, Exemplar Genetics, the Harvard Medical School, and the University of California, San Francisco, first studied this possibility using three separate purified ß-cardiac myosin constructs (25-heptad heavy meromysin [HMM], two-heptad HMM, and short S1), finding that a fraction of their basal ATPase rates were within the range of 0.002-0.004 s-1 which defines the SRX state.

>Read more on the Advanced Photon Source at Argonne National Laboratory

Image: The figure (a) shows a diffraction pattern from untreated muscle compared to treated muscle on the right. Intensification of the x-ray reflections from the treated muscle indicate a highly ordered “super-relaxed” state of myosin motors. Figure (b) shows the myosin heads in the compact “interacting head motif” which the heads adopt in the super-relaxed state allowing them to be packed closely and tightly on the surface of muscle thick filaments.


Strain research on rotating bearings wins Fylde prize for best paper

The paper – “Dynamic contact strain measurement by time‐resolved stroboscopic energy dispersive synchrotron X‐ray diffraction,” was the result of a collaboration between the Universities of Sheffield, Bristol, Oxford and Diamond Light Source. The researchers set themselves the challenge not just of measuring the strain in a bearing, but of capturing the measurement while the bearing was rotating and under load. This involved using a special stroboscopic X-ray diffraction technique to measure the strain in the rotating piece of machinery.
The authors will receive their award from the Journal’s Editorial Board and the British Society for Strain Measurement (BSSM) on 30th August 2018 and have been invited to present their paper at the BSSM’s International Conference on Advances in Experimental Mechanics in Southampton at 29 – 31 August 2018.
Image: The bearing experiment.

A designed material untangles long-standing puzzle

This approach could lead to new materials with emergent physics and unique electronic properties, supporting broader research efforts to revolutionize modern electronics.

When atoms or molecules assemble to form bulk matter, new properties (such as conductivity and ferromagnetism) that didn’t exist in the constituent parts can emerge from the whole. Similarly, stacking atomically thin layers into nanostructures (heterostructures) can give rise to a rich variety of emergent phases not found in bulk materials.

Materials that exhibit emergent phenomena (“quantum materials”) often feature multiple phases with simultaneous phase transitions. A great deal of effort is currently being expended to disentangle such transitions, to discover what drives them and to ultimately harness them in new materials with desired functionalities. Most of these efforts have relied on external perturbations (light, pressure, etc.) to decouple the transitions. In this work, researchers found a way to do this intrinsically, through layer-by-layer design of stacking sequences with mismatched periodicities.

>Read more on the Advanced Light Source website

Image: (a) Rare-earth (RE) nickelates (RENiO3) host multiple types of entangled orderings. This illustration depicts a magnetic ordering (spin directions indicated by yellow arrows) and a charge ordering (a checkerboard of two nickel oxidation states, indicated by sphere size and color) in bulk RENiO3 (RE and O atoms omitted for clarity). 
Please find the entire image here.

X-Ray Experiment confirms theoretical model for making new materials

By observing changes in materials as they’re being synthesized, scientists hope to learn how they form and come up with recipes for making the materials they need for next-gen energy technologies.

Over the last decade, scientists have used supercomputers and advanced simulation software to predict hundreds of new materials with exciting properties for next-generation energy technologies.

Now they need to figure out how to make them.

To predict the best recipe for making a material, they first need a better understanding of how it forms, including all the intermediate phases it goes through along the way – some of which may be useful in their own right.

Now experiments at the Department of Energy’s SLAC National Accelerator Laboratory have confirmed the predictive power of a new computational approach to materials synthesis. Researchers say that this approach, developed at the DOE’s Lawrence Berkeley National Laboratory, could streamline the creation of novel materials for solar cells, batteries and other sustainable technologies.

>Read more on the Stanford Synchrotron Radiation Lightsource at SLAC website

Image: In an experiment at SLAC, scientists loaded ingredients for making a material into a thin glass tube and used X-rays (top left) to observe the phases it went through as it was forming (shown in bubbles). The experiment verified theoretical predictions made by scientists at Berkeley Lab with the help of supercomputers (right).
Credit: Greg Stewart/SLAC National Accelerator Laboratory

Dark-field X-ray microscopy provides surprising insight on ferroelectrics

Thanks to the unique capabilities of in-situ dark-field X-ray microscopy, scientists have now been able to see the complex structures hidden deep inside ferroelectric materials. The results, published today in Nature Materials, contradict previous studies in which only the surface was studied. This revolutionary new technique will be the main feature of a new beamline for the new EBS machine currently being built at the ESRF.

“Until now we could only see the surface of the material; dark-field x-ray microscopy is like creating a window to its interior”, explains Hugh Simons, assistant professor at the Technical University of Denmark and corresponding author of the study. “It provides incredible contrast for even the subtlest structures inside these materials, giving us a much clearer picture of how they work”, he adds.

Simons, together with the team of ID06 – the beamline where the technique is being developed – studied the ferroelectric material BaTiO3, which is used every day in cars, computers and mobile phones. By imaging their internal structure at the same time as they applied an electric field on it, they could see how these internal structures behave and change dynamically.

>Read more on the European Synchrotron (ESRF) website

Image: (extract) Crosssectional dark-field x-ray microscopy maps of the embedded BaTiO3 grain. (…) the reconstructed strain map reveals the structural relationship between domain clusters. Full picture here.
Credit: H. Simons.

Enlightening yellow in art

Scientists from the University of Perugia (Italy), CNR (Italy), University of Antwerp, the ESRF and DESY, have discovered how masterpieces degrade over time in a new study with mock-up paints carried out at synchrotrons ESRF and DESY. Humidity, coupled with light, appear to be the culprits.

The Scream by Munch, Flowers in a blue vase by Van Gogh or Joy of Life by Matisse, all have something in common: their cadmium yellow pigment. Throughout the years, this colour has faded into a whitish tone and, in some instances, crusts of the paint have arisen, as well as changes in the morphological properties of the paint, such as flaking or crumbling. Conservators and researchers have come to the rescue though, and they are currently using synchrotron techniques to study in depth these sulphide pigments and to find a solution to preserve them in the long run.

“This research has allowed us to make some progress. However, it is very difficult for us to pinpoint to what causes the yellow to go white as we don’t have all the information about how or where the paintings have been kept since they were done in the 19th century”, explains Letizia Monico, scientist from the University of Perugia and the CNR-ISTM. Indeed, limited knowledge of the environmental conditions (e.g., humidity, light, temperature…) in which paintings were stored or displayed over extended periods of time and the heterogeneous chemical composition of paint layers (often rendered more complex by later restoration interventions) hamper a thorough understanding of the overall degradation process.

>Read more on the ESRF website

Image: Some of the mock-up paints, prepared by Letizia Monico. Credits: C. Argoud.

The enigma of Rembrandt’s vivid white

Some of Rembrandt’s masterpieces are at the ESRF for some days, albeit only in minuscule form. The goal: to unveil the secrets of the artist’s white pigment.

Seven medical students surround a dead body while they attentively look at how the doctor is dissecting the deceased. The scene is set in a dark and gloomy environment, where even the faces of the characters show a grey tinge. Strangely, the only light in the scene is that coming from their white collars and the white sheet that partially covers the body. The vivid white creates a perplexing light-reflecting effect. Welcome to painting The anatomy lesson of Dr. Nicolaes Tulp, a piece of art displaying the baffling technique of the impasto, of which Rembrandt, its author, was a master.

Impasto is thick paint laid on the canvas in an amount that makes it stand from the surface. The relief of impasto increases the perceptibility of the paint by increasing its light-reflecting textural properties. Scientists know that Rembrandt achieved the impasto effect by using materials traditionally available on the 17th century Dutch colour market, namely the lead white pigment (mix of hydrocerussite Pb3(CO3)2.(OH)2 and cerussite PbCO3), chalk (calcite CaCO3) and organic mediums (mainly linseed oil). The precise recipe he used is, however, still unknown.

>Read more on the European Synchrotron website

Image: The anatomy lesson of Dr. Nicolaes Tulp, by Rembrandt.