Articles tagged with Crystal Structure
The CSD-Materials suite provides a comprehensive analysis of solid form properties, helping researchers explore intra- and intermolecular interactions. The suite's components, including Hydrogen Bond Propensity, Full Interaction Maps, and Aromatics Analyser, aid in identifying potential co-former or solvent interactions for new APIs.
A study by researchers at Pusan National University has investigated the relationship between surface structures and nanoscale friction in multi-layered CVD graphene. They found that only the top-most layer of graphene was twisted with respect to the rest, affecting layer-dependent nanoscale friction.
Researchers have identified a novel enzyme that catalyzes the formation of glycosidic bonds in complex sugar moieties. The discovery provides fresh insights into carbohydrate metabolism and offers a breakthrough for the synthesis of sugar chains, which play key roles in various biological processes.
A team of researchers at NGI and NPL demonstrated that slightly twisted 2D transition metal dichalcogenides (TMDs) display room-temperature ferroelectricity. This characteristic can be used to build multi-functional optoelectronic devices with built-in memory functions on a nanometre length scale.
A new method using a thin oxide film has revealed that oxygen impurities in germanium are responsible for a surprising effect, creating holes in the material and eclipsing its semiconducting properties. This discovery has broad implications for understanding the role of thin oxide films in future semiconductor design.
Researchers at Politecnico di Milano have discovered a new type of phase transition in a quasi-crystal made of laser light, allowing for the simultaneous control and modification of its properties. This breakthrough could lead to the development of novel materials with unprecedented flexibility and controllability.
Researchers have discovered the structure of C.difficile's protective armor, a chain-mail like layer that prevents molecules from entering the cell. This discovery opens the possibility of designing specific drugs to target the armor and kill the cell.
Researchers at NTU Singapore have created a rapid and affordable method to evaluate the microstructure of 3D-printed metal alloys, providing insights into strength and toughness. This technology can benefit industries such as aerospace, where quality assessment is critical for maintenance and repair.
Researchers at Tokyo University of Science have discovered a method to improve the crystallinity of coordination nanosheets by mixing two metal ion solutions. This approach results in higher crystallinity and improved performance in devices such as electronics and batteries. The findings open a new pathway for tuning the functional pro...
Researchers have found a new method to induce the piezoelectric effect in materials that are otherwise not piezoelectric. This breakthrough could lead to the development of biocompatible materials with properties similar to common lead-containing materials, and has the potential to expand the design of new electromechanical devices.
USTC researchers develop a method named SCUBA for de novo protein design, employing a novel statistical learning strategy to generate protein main chain structures with high designability. This approach enables the creation of novel protein structures not observed in nature, expanding the diversity of accessible protein geometries.
Researchers have developed a way to change the atomic structure of tin selenide using intense pulses of near-infrared laser light, creating materials with dramatic new properties. This breakthrough opens up possibilities for improving thermoelectrics and other materials by controlling their structure.
A new material, sodium carbo-hydridoborate, improves the performance of solid-state sodium batteries, making them more sustainable and durable. The ideal pressure to be applied to the battery for efficient operation has also been defined.
Scientists created new material design principles by studying the complex structure of starfish skeletons. The unique lattice architecture offers mechanical protection, enabling high strength and flexibility while maintaining buoyancy regulation.
University of Warwick physicists have discovered a complex electrical 'vortex' pattern in ferroelectric materials that mirrors the spin crystal phase of ferromagnets. This finding suggests that ferroelectricity and magnetism could be two sides of the same coin, with potential implications for new electronic technologies.
Researchers use scanning tunneling microscopes to visualize electrons in graphene, discovering crystal structures that exhibit spatial periodicity corresponding to quantum superposition. These findings shed light on the complex quantum phases electrons can form due to their interactions.
A team of researchers predicts a new hydrogen compound crystal structure that could achieve superconductivity at high temperatures. The discovery uses computer simulations to identify promising candidates, with one compound showing a transition temperature of 23.3 K at 200 GPa.
Researchers used energy dispersive diffraction to create high-resolution 3D maps of bioapatite arrangements within shark centra, revealing key structures and their functions. The study provides insights into the structure-function relationship of the shark skeleton and could be applied to other organisms.
Japanese researchers use supercomputer simulations to determine stable ternary hydrides with room-temperature superconductivity. The study identifies potential candidates, including Y-Mg-H systems, and highlights the importance of hydrogen content in superconducting phenomena.
Researchers develop small-molecule serial femtosecond crystallography, enabling precise analysis of complex materials. The technique reveals accurate atomic structures of previously unsolvable compounds.
Scientists have developed a new technique called small-molecule serial femtosecond X-ray crystallography (smSFX) that can reveal the structures of not-so-neat-and-tidy materials. This method uses an exceptional X-ray laser and custom-built image processing algorithms to diffract individual granules of powders, providing a precise sharp...
Researchers have developed a new approach to determine the structures of tiny crystals relevant to chemistry and materials science. The new method, called smSFX, uses ultrafast pulses from an X-ray free-electron laser to collect structural information before damage sets in.
Researchers from Japan Advanced Institute of Science and Technology have identified a new crystal structure for hydrogen at low temperatures near 0 K and high pressures. The team used supercomputer simulations and data science to generate several candidate patterns, which were then validated through high-resolution simulations.
Researchers from Tokyo University of Science developed a high-quality crystalline interface using quasi-homo-epitaxial growth, which eliminated mobility issues and enabled spontaneous electron transfer. This breakthrough could lead to highly efficient flexible solar cells and wearable electronic devices.
Researchers at JAIST have demonstrated a high thermal rectification ratio on suspended asymmetric graphene nanomesh devices at low temperatures. The device shows promise for developing a high-efficiency thermal rectifier based on graphene nanomesh structure.
Researchers from Singapore-MIT Alliance for Research and Technology (SMART) have discovered a way to perform 'general inverse design' with high accuracy. This breakthrough enables the creation of materials with specific characteristics and properties, paving the way for revolutionizing materials science and industrial applications.
Researchers have designed and synthesized stable size/morphology-controlled MOF nanocrystals using a synergetic dual-ligand and hard-soft-acid-base strategy. The resulting 3D pillared-layer structure exhibits excellent cycling performance, with the Ni-Tdc network providing good stability during charging and discharging processes.
Researchers have developed a new hexagonal perovskite-related oxide with excellent ionic conduction at intermediate and low temperatures, paving the way for efficient solid oxide fuel cells. The material's stability and ion conduction remain dominant in reducing atmospheres.
A team of researchers at UC Santa Cruz has created an unusual protein structure known as a ‘rippled beta sheet’ by mixing mirror-image peptides. The study used x-ray crystallography to obtain images of the structure, which closely matches predictions made in 1953 by Linus Pauling and Robert Corey.
A new device has been developed that converts sunlight into two promising sources of renewable fuels – ethylene and hydrogen. The researchers found that by optimizing the working conditions for cuprous oxide, a promising artificial photosynthesis material, they can create a more stable system.
Researchers developed a new process to produce stable formamidinium perovskite (FAPbI3) materials, which can be used to make more efficient and stable solar cells. The novel approach uses lower temperatures and eliminates additives, making it suitable for large-scale production and flexible solar cell applications.
Scientists have made a breakthrough in controlling the formation of vacancies in silicon carbide, a semiconductor material. The team's simulations tracked the pairing of individual vacancies into a divacancy and discovered the optimal temperatures for creating stable divacancies. This discovery could lead to highly sensitive sensors an...
Scientists have successfully created a new state of matter that combines crystalline order with fluidity, similar to traditional materials like copper and aluminum. The discovery uses DNA-based dendritic nanostructures to form cluster crystals with highly mobile particles.
Researchers have designed porous, carbon-based crystals that can stretch to more than twice their length, making them suitable for nanofiltration and pollutant removal. By adding 'soft joints' into the crystal's scaffold, they can be disrupted by specific chemicals, causing the crystal to expand and contract rapidly.
Scientists at Paderborn University have demonstrated the spatial confinement of a light wave to a point smaller than the wavelength in a topological photonic crystal. This finding enables novel unidirectional waveguides that transmit light without back reflection, even with arbitrarily large disorder.
Researchers developed a machine learning method to assign NMR spectra of organic crystals probabilistically from their 2D chemical structures. The approach uses a database of chemical shifts for organic solids, reducing computational cost by up to 10,000 times compared to current methods.
Researchers at Tokyo University of Science have reported the first-ever observation of long-range ferromagnetic order in icosahedral quasicrystals. The discovery was made using conventional X-ray diffraction, magnetic susceptibility, and specific heat measurements.
Researchers from Peking University developed a new technique using 4D-EELS to measure phonon modes at heterointerfaces, directly observing localized phonon modes for the first time. This breakthrough enables better understanding and control of solid interfaces' properties.
Borophene, a 2D version of boron, can be synthesized on hexagonal boron nitride using weak van der Waals forces. This method allows for easier removal and evaluation of the material for its plasmonic and photonic properties, as well as its electronic properties relevant to superconductivity.
The CryForm project aims to replace synthetic stabilizing agents with crystalline materials, enabling innovative multiphase formulations for safer, more sustainable and affordable products. The project will develop biocompatible crystals for pharmaceutical, cosmetic and food applications, contributing to the European Green Deal.
Stabilized blue phase crystals could lead to new optical technologies with better response times. By using a core and shell structure, researchers were able to trap chiral liquid crystal in a 'blue phase' state, allowing for perfect, uniform crystals that can be controlled and predicted.
SMART researchers have discovered a practical method to overcome current challenges in the manufacture of indium gallium nitride (InGaN) LEDs with considerably higher indium concentration. The new approach uses intrinsic defects in semiconducting materials to form quantum dots that emit long-wavelength light.
Researchers at Berkeley Lab have successfully engineered microbes to produce novel chemicals and developed a new technique for studying enzyme reactions in real-time. This breakthrough could lead to the production of sustainable fuels, pharmaceuticals, and renewable plastics.
Researchers at Lawrence Berkeley National Laboratory have discovered a new path forward for processing titanium. Cryo-forging at ultra-low temperatures produces extra-strong nanotwinned titanium with improved strength and ductility. The material maintains its structure and properties at extreme temperatures, demonstrating its versatility.
Researchers from South Ural State University discovered the reasons for the stability of salts, attributing it to the properties of electron density distribution. The study reveals the importance of chemical bonding in multi-centre character, paving the way for predicting material properties.
A new instrument at the Advanced Light Source enables simultaneous measurement of crystal structure and optical properties during perovskite synthesis. This allows for real-time monitoring of material quality and performance, leading to potentially more efficient solar cells.
Rice materials scientists develop a method to print arbitrary 3D shapes, creating micro-scale electronic, mechanical and photonic devices. The process involves two-photon polymerization and doping with rare earth salts for photoluminescent properties.
A team of scientists has created a novel material composed of catenane molecules, which can adsorb and desorb gas molecules like carbon dioxide. The soft crystal exhibits unique properties, including porosity and deformability, making it suitable for applications such as capturing CO2 molecules.
Researchers at GlaxoSmithKline and CCDC combined proprietary and published datasets to train machine learning models for predicting stable polymorphs in new drug candidates. The approach leverages the large volume and variety of data in the Cambridge Structural Database, resulting in more confident predictions and improved model accuracy.
Boston College physicists uncover novel charge density waves and symmetry-broken phases in the topological kagome metal CsV3Sb5, leading to superconductivity at low temperatures. The study reveals a 'cascade' of correlated electron states driving electrical conduction and potential implications for unconventional electron pairing.
A recent study reveals the physical properties responsible for Ca2RuO4's negative thermal expansion (NTE), a phenomenon where materials shrink when heated. The research proposes a new route to designing unconventional NTE materials, which could lead to the creation of composites showing no overall thermal expansion.
Researchers used computer modeling to study prethermal discrete time crystals (DTCs) using classical physics, not quantum physics. They found that a simpler approach can be used to understand the properties of DTCs, which are highly complex physical systems.
Researchers developed a theoretical model to predict the strength of millions of alloys at high temperatures. Experiments confirmed the predictions, highlighting the importance of edge dislocations in determining yield strength in complex high-entropy alloys.
Researchers investigated methylammonium lead iodide's ferroelectric nature and photovoltaic properties, finding a freezing temperature of 270 K and a novel phase diagram. The study advances perovskite's potential for energy conversion and storage applications.
Researchers found that the stability of an amorphous metal alloy's structure is disrupted by mechanical influences, leading to crystalline inclusions. The alloy retains useful properties at pressures below 400 gigapascals before experiencing rapid crystallization and loss of structural integrity.
NIST scientists use a novel technique to measure the properties of silicon crystals, revealing new insights into subatomic particles and the strength of a possible fifth force. The results provide improved precision and complementary information for both X-ray and neutron scattering.
Scientists at CIBFar have discovered the molecular mechanism of SARS-CoV-2's main protease, which enables the virus to replicate in host cells. The study provides valuable insights into the process and has immediate applications for developing antiviral drugs.
Researchers at Goethe University Frankfurt and Bonn have synthesized molecular nano spheres made of silicon atoms, known as silafulleranes, which can encapsulate chloride ions. The discovery of these new compounds may lead to improved applications in electronics, solar cells, and batteries.
Researchers at UCF's NanoScience Technology Center created a new nanomaterial that repels water and stays dry even when submerged underwater. The discovery has the potential to develop more efficient water-repellent surfaces, fuel cells, and electronic sensors.
A team of researchers from Boston College has created a new metallic specimen where electron motion flows in a fluid-like manner, fundamentally changing particle-like to hydrodynamic dynamics. The discovery confirms theoretical predictions and opens up new possibilities for material exploration and potential applications.