Articles tagged with Atomic Structure
Scientists have gained a new understanding of the atomic level interactions in complex catalysis, enabling more efficient and sustainable chemical production. Researchers used x-ray spectroscopy, machine learning analysis, and first principles calculations to model reactions and identify active site structures.
Researchers have solved atomic-level structures of the muscle-type nicotinic acetylcholine receptor, a crucial step in understanding its function. The new findings could lead to breakthroughs in treating neurological disorders such as congenital myasthenic syndrome and myasthenia gravis.
Researchers at City University of Hong Kong have discovered a super-elastic high-entropy Elinvar alloy that retains its stiffness even after being heated to 1000 K. The alloy's unique structure and chemical composition allow it to store a large amount of elastic energy, making it suitable for high-precision devices in aerospace enginee...
Researchers identify two key principles determining reaction specificity in converting CO2 and ethane into synthesis gas or ethylene. The formation energy of the bimetallic catalyst and binding energy between the catalyst and oxygen released from CO2 are crucial in driving reaction selectivity.
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.
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 at Tokyo Metropolitan University have developed a scalable way to assemble nanowires into nanoribbons, a promising material for sophisticated electronic devices and catalysts. The method involves weaving together nanowires with chalcogen atoms and heat, resulting in atomically thin ribbons with unique properties.
Researchers have successfully synthesized a new 2D material, 2D cuprous iodide, by stabilizing it in a graphene sandwich. The study's lead author notes that understanding the structure was crucial to designing a chemical process for large-scale production.
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 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 Japan Advanced Institute of Science and Technology have developed a novel method to fabricate diamond probes with controlled shape and higher sensitivity. These probes enabled the imaging of periodic magnetic domain structures in ferromagnets, showing promise for quantum applications.
Researchers develop a symmetrized N-center representation that provides a natural, fully equivariant framework for learning properties associated with multiple atoms. The approach gives excellent accuracy for predicting atomic properties despite using only linear or kernel regression.
Researchers at Lawrence Berkeley National Laboratory developed a method to stabilize graphene nanoribbons and directly measure their unique magnetic properties. By substituting nitrogen atoms along the zigzag edges, they can discretely tune the local electronic structure without disrupting the magnetic properties.
Researchers have mapped the atomic structure of amphotericin B, a powerful but toxic antifungal agent. The detailed structure reveals how the drug kills fungal cells by robbing them of sterol molecules, providing a roadmap for synthesizing less-toxic derivatives.
Researchers developed a nickel-cobalt metal dimer on nitrogen-doped carbon that can catalyze electrolysis under both acidic and basic conditions. The new system exhibits comparable overvoltage to commercial Pt-based catalysts and shows significant activity enhancements compared to individual single-atom catalysts.
Researchers discovered a graphene-like material called magnetene that exhibits ultra-low friction, contrary to predictions based on Van der Waals forces. Quantum effects play a crucial role in its behavior, making it suitable for use in micro-electro-mechanical systems and implantable devices.
Researchers have successfully imaged the spin of an individual molecule using electron spin resonance in a scanning tunneling microscope. This achievement allows for precise control of spin states and investigation of magnetic interactions between molecules.
Scientists confirm existence of sigma-hole, a phenomenon previously predicted but never directly observed. This breakthrough enables understanding of interactions between individual atoms or molecules, facilitating refinement of material and structural properties.
Researchers from Germany, China, Israel and Vietnam cracked the code on attosecond collision dynamics in solids. By analyzing high harmonic generation (HHG) in solids, they unveiled the structure and dynamics of information encoded within the band structure.
Researchers developed a new method to predict stress at atomic scale using machine learning, enabling accurate predictions of grain boundary stresses in actual metal specimens. This breakthrough advances the field of mechanics of materials and enables scientists to engineer stronger and more heat-resistant metals.
Paxlovid demonstrates significant efficacy against SARS-CoV-2 virus, reducing hospitalization and death risks in adult patients by up to 89%. The treatment's development involved cutting-edge X-ray technology from the Advanced Photon Source.
Recent simulations using Gkeyll reveal that neutral particles significantly impact plasma density, temperature, and flow levels in the scrape-off layer region of tokamaks. The inclusion of neutrals leads to reduced plasma fluctuations and slower blob motion.
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.
A UCLA-led research team directly observes how atoms are packed in samples of amorphous materials using 3D imaging. They found that the most commonly seen arrangement is groups of seven, with five in one central layer, leading to a network structure with shared edges.
Researchers developed an Internet information system, virusMED, to provide a comprehensive picture of viruses' most important regions. The database contains over 800 strains from 75 different families, including SARS-CoV-2, influenza, Ebola, and HIV-1, enabling scientists to respond quickly and effectively against the next pathogen.
The study explores chromium oxides, magnetic compounds used in old tapes, and finds that adding oxygen atoms increases metallic properties. This allows for precise control over electrical conductance, enabling the design of molecular-sized components with vast processing and storage capacities.
A new study reveals the emergence of magnetism in a 2D organic material due to strong electron-electron interactions in its unique star-like atomic-scale structure. The findings have potential applications in next-generation electronics based on organic nanomaterials.
A recent study reveals that ants, worms, spiders, and other tiny creatures have a built-in set of tools that maximize cutting efficiency thanks to the arrangement of individual atoms of zinc. This biomaterial allows animals to use less force, making their smaller muscles spend less energy.
A novel method for imaging vibrations and movements of atoms in catalysts has been developed by a collaboration of internationally leading researchers. The new analytical method reveals a dynamic behavior of the atoms, contrary to the long-held expectation that atoms in nanoparticles are static during observations.
Researchers discovered that certain catalyst materials, such as erythrite, improve in performance over time due to restructuring. This process increases the surface area of the material, allowing for more reactions to occur, resulting in higher oxygen yields and doubled electrical current generation.
A team of researchers from Tokyo Institute of Technology developed a novel imaging method using metal-atom tracers in HAADF-STEM to determine the conformational structures of complex polynuclear coordination compounds. The technique achieves accurate visualization of highly branched molecules, filling a gap in structural analysis.
Researchers at Nagoya University developed a new synthesis method for nanographenes, using polycyclic aromatic hydrocarbons as templates. This approach enables the creation of multiple nanographenes with varying characteristics, addressing the challenge of identifying relationship between structure and properties.
Scientists have successfully controlled graphene at an atomic scale using a novel experimental setup and machine learning algorithms. The breakthrough enables the creation of large-scale structures with tailored properties, opening up new avenues for materials design.
Gold nano-antennas concentrate light to enhance signal from nanoscale region, creating orange and red flashes of fluorescence. The phenomenon allows for observation of atomic scale dynamics without sophisticated microscopes.
KAIST researchers have developed a deep learning approach to accurately determine the 3D surface atomic structure of nanoparticles. The method enhances precision by nearly 70% and improves surface atom identification, enabling the study of catalytic properties at the atomic scale.
Researchers have developed a high-performance thermoelectric compound by intertwining crystalline and amorphous sublattices into a unique crystal-amorphic duality. The new material exhibits excellent thermoelectric performance, paving the way for better electric power in the future.
Researchers from NTNU and SINTEF have made a breakthrough in understanding the phenomenon of natural ageing, where certain alloy strengths increase over time. The team studied clusters formed by alloying elements using advanced microscopy techniques, discovering that these clusters affect metal strength.
Researchers from Argonne National Laboratory have synthesized a stable borophane nanosheet with potential applications in nanoelectronics and quantum information technology. The material is stronger and more versatile than steel, making it a promising candidate for future devices.
Researchers used atomic electron tomography to map the structure of metallic glass, a class of matter that has long posed a challenge to scientists. The study revealed pockets where atoms coalesced into ordered superclusters, showing that even within an amorphous solid, the arrangement of atoms is not completely random.
Researchers have successfully mapped the metallic and insulating regions of atomically engineered devices made from rare-earth nickelate compounds at near-atomic resolution. This breakthrough enables a deeper understanding of the physics behind these electronic materials, which may be used in future computing approaches.
Scientists at Samara Center for Theoretical Materials Science (SCTMS) developed methods to simplify crystal structures, enabling the understanding of material properties. By analyzing simplified structures, researchers can identify patterns and hidden information in original complex structures.
Researchers discovered a unique step-terrace-like surface structure in quasicrystal-like materials, which depends on the biasing voltage applied to the sample. The study, led by Prof. Ryuji Tamura from Tokyo University of Science, offers exciting possibilities for material scientists to explore.
Researchers from Japan Advanced Institute of Science and Technology have successfully created 2D Si-Ge alloys with adjustable electronic properties. By adjusting the composition of these materials, they can fine-tune their band structure to suit various applications, opening doors for new electronics innovations.
Researchers have developed a method that connects experimental data from synchrotron sources like BESSY II to quantum chemical simulations, reducing computing times for complex molecules. This allows for faster analysis and interpretation of RIXS data, enabling scientists to simulate more complex systems.
Scientists used environmental transmission electron microscopy to visualize epitaxial rotation of gold nanoparticles on titanium dioxide surfaces during CO oxidation. Theoretical calculations showed that the epitaxial orientation could be induced by changing O2 adsorption coverage at the perimeter interface.
Chemists at the University of Jena have successfully created a bimetallic main-group complex using gallium, demonstrating cooperative bond activation that can remove fluorine atoms from hydrocarbon compounds. The breakthrough paves the way for further development of sustainable catalytic reactions.
Researchers found three regimes in gold plasmonic evolution: classical plasmon for large clusters, quantum confinement corrected plasmon for medium-sized clusters, and molecular plasmon for small clusters. The study uses atomic precision to understand the boundary between bulk, nano and molecule scale of gold plasmonic physics.
A new research method has successfully investigated the role of oxygen in complex metal oxide surfaces, revealing that oxygen atoms settle down particularly easily in specific places. This breakthrough understanding will aid in improving important catalysts needed for energy and environmental technology.
Scientists at USTC created a new type of catalyst by etching Pd-Pt nanocubes, resulting in higher surface area and active sites. The new tesseracts framework structure showed improved atomic utilization and stability, achieving mass activities 11.6 times that of commercial Pt/C catalysts.
Researchers developed a machine learning model to predict electronic density of states (DOS) for materials properties. The model demonstrates transferability across different phases and scalability to large system sizes, making it applicable to address long-standing open questions in materials science.
The study uses high-speed atomic force microscopy to image several intrinsically disordered proteins (IDPs) and identify parameters defining protein shapes and sizes. The technique reveals globules that appear and disappear, as well as transformations between fully unstructured and loosely folded conformations.
Researchers at Skidmore College are developing a unique musical scale for each element based on its spectral signature, allowing students to visualize atomic structures through sound. The project has led to collaborations with Carnegie Hall and London-based DJs, creating soundscapes from celestial data.
A team of researchers has discovered that the titanium atom in crystal BaTiS3 is responsible for its poor thermal conductivity. The titanium atom exists in a double-well potential, allowing it to absorb and emit vibrations in a way that scatters energy rather than transferring it cleanly.
Recently, N-heterocyclic phosphines have emerged as a new group of promising catalysts for metal-free reductions. Their excellent hydricity rivals or exceeds that of many metal-based hydrides, making them suitable alternatives for reducing unsaturated compounds.
Researchers developed an AI algorithm called CAMEO that discovered a new compound by operating in a closed loop, maximizing productivity and efficiency. The AI is designed to contain knowledge of key principles, including past simulations and lab experiments, to identify the best material for specific applications.
A team of researchers from The University of Tokyo used electron spectroscopy and computer simulations to study the internal atomic structure of aluminosilicate glass. They found intricate structures that have not yet been analyzed by scientists, including complex coordination networks among aluminum atoms within phase-separated regions.
Scientists developed a new approach to decipher the atomic-level structure of materials using data from ground-up powder samples. This 'genomic' method solves complex structures by building and evaluating all plausible arrangements of atoms, revealing details of promising sodium-ion battery material NVPF.
Researchers have developed a graphdiyne-based metal atomic catalyst that achieves high selectivity and yield in ammonia synthesis. The catalyst, which exhibits determined electronic and chemical structure, demonstrated remarkable performance in converting nitrogen to ammonia at ambient temperatures and pressures.