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Impact of Lithium Nitrate Concentration on the Performance of High-Voltage Lithium Metal Batteries
No full textEnhancing Rate Capability by Introducing Novel Solvent in High Energy-Density Lithium-Ion Batteries
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MetalloGen: Automated 3D Conformer Generation for Diverse Coordination Complexes
No full textConformer generation is crucial for computational chemistry tasks such as structure-based modeling and property prediction. Although reliable methods exist for organic molecules, coordination complexes remain challenging due to their diverse coordination geometries, ligand types, and stereochemistry. Current tools often lack the flexibility and reliability required for these systems. Here, we introduce MetalloGen, a novel algorithm designed for the automated generation of 3D conformers of mononuclear coordination complexes. MetalloGen accepts either SMILES strings or molecular graph representations as input and enables the generation of reliable conformers, including those with multiple polyhapto ligands, which are typically inaccessible to conventional conformer generators. To rigorously assess MetalloGen's performance, we benchmarked it on three distinct data sets: a curated collection of experimentally determined structures from the Cambridge Structural Database, the MOR41 benchmark set encompassing a wide range of organometallic reactions and complex ligand environments, and three catalytic reactions. Across all test sets, MetalloGen consistently reproduced appropriate geometries with high fidelity and demonstrated robust stereochemical control, even for challenging cases involving multiple polyhapto ligands. The versatility and reliability of MetalloGen make it a valuable tool for more accurate and efficient computational investigations in inorganic and organometallic chemistry.
Soft Ionic Materials: Design and Applications in Functional Electrochemical Systems
No full textBy integrating the rapid ionic transport of ionic liquids with the structural integrity of polymers, ionogels achieve high conductivity, mechanical flexibility, and environmental stability. These attributes position them as promising solid-state electrolytes for soft electronics. Recent molecular innovations have yielded ionogels with remarkable stretchability, toughness, and multifunctionality, broadening their scope of applications. This Perspective highlights molecular-level strategies, such as copolymer design and dynamic cross-linking via ionic or supramolecular interactions, that tailor polymer-ion interactions and network dynamics. We then discuss how these strategies regulate ionicity, diffusivity, and segmental mobility. These microscopic processes ultimately determine macroscopic transport properties and enable advanced devices such as strain sensors, electrochromic supercapacitors, thermoelectric generators, and triboelectric nanogenerators. Finally, by integrating molecular design with mechanistic insight, we provide a forward-looking framework for developing scalable, robust, and adaptive ionogels that underpin next-generation ionotronic systems.
Understanding User Privacy Perceptions in Video Conferencing: Insights from a Feature-Specific User Study
No full textDemonstrating TwinSpin: A Virtual Ball in a VR Controller Enabling In-Hand 3DoF Rotation
No full textIn-hand rotation is a natural component of human motor skills; however, most commercial VR controllers rely on a "wrist-arm rotation" technique, in which users rotate virtual objects by physically rotating their wrists and arms. Its repetitive nature and dependence on large movements of the wrist and arm can lead to physical fatigue. To address this problem, we propose TwinSpin, a VR controller that enables in-hand 3DoF rotation by leveraging finger dexterity, inspired by the metaphor of rolling a ball in hand. It combines two trackballs, each providing 2DoF rotation and positioned under the thumb and index finger, to form a single virtual ball that supports full 3DoF rotation. This design allows users to perform rotation tasks efficiently while maintaining a stable power grip on the controller. In our demonstration, participants play the Puzzle Key game from The Legend of Zelda: Skyward Sword in a VR environment using the TwinSpin controller, allowing hands-on exploration of the effectiveness of our approach
