SEPTEMBER 30, 2026 Journal Article H2X100: A Gold-Standard CCSD(T)/CBS Benchmark Dataset of Binding Energies, Structures, and Harmonic Frequencies for (H2X)n, X = S, Se, Te, n = 2 – 4, and Assessment of Lower-Scaling Density Functional Theory Methods ( Read More )
SEPTEMBER 22, 2026 Journal Article MixPI: Mixed-Time Slicing Path Integral Software for Quantized Molecular Dynamics Simulations ( Read More )
SEPTEMBER 22, 2026 Journal Article Weakly Solvating Electrolytes: A Solvation-Centric Paradigm for Rechargeable Metal Batteries ( Read More )
SEPTEMBER 22, 2026 Journal Article Designing carbon wetting layers with inorganic salts as additives for enhanced adhesion and molten sodium wettability in electrochemical application ( Read More )
SEPTEMBER 22, 2026 Journal Article Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism ( Read More )
SEPTEMBER 22, 2026 Journal Article Molecular modelling of surfactant interaction on phospholipid bilayers mimicking corneal epithelium ( Read More )
SEPTEMBER 22, 2026 Journal Article On Rate-Limiting Mechanisms in NMC Cathodes: The Interplay of Low and High Current Constraints ( Read More )
SEPTEMBER 22, 2026 Journal Article Deconvoluting the impact of current collector structure and electrolyte selection on Coulombic efficiency of lithium metal anodes ( Read More )
SEPTEMBER 22, 2026 Journal Article A Dendrite-Resistant Sodium/Porous-Carbon Anode for Solid-State Batteries – Strategies and Challenges for Low-Pressure Operation ( Read More )
SEPTEMBER 22, 2026 Journal Article Direct Conversion of MnO2 into Atomic Mn Sites for Oxygen Reduction ( Read More )
SEPTEMBER 22, 2026 Journal Article Advanced LiFSI-LiPF6 Electrolyte for Wide-Temperature and Thermally Stable Lithium-Ion Batteries ( Read More )
SEPTEMBER 22, 2026 Journal Article 4D-STEM Coupled with Unsupervised Machine Learning to Reveal at Large-Scale the Microstructural Evolution in Li- and Mn-Rich Cathodes ( Read More )
SEPTEMBER 22, 2026 Journal Article Physics-Informed Machine Learning Exploration of Na Storage Mechanisms in Disordered Carbon ( Read More )
SEPTEMBER 22, 2026 Journal Article Fingerprinting Uranium Oxides with Electron Energy Loss Spectroscopy Supported by Theoretical Computations ( Read More )
SEPTEMBER 22, 2026 Journal Article Enhancing Fast-Charging Capability of Silicon-Based Lithium-Ion Batteries via an Ionically Conductive Binder ( Read More )
SEPTEMBER 22, 2026 Journal Article Design of Iron Complex Anolytes Using Phosphonate and Carboxylate Chelators for All-Soluble Fe-Based Redox-Flow Batteries ( Read More )
SEPTEMBER 22, 2026 Journal Article Fermionic mean-field dynamics for spin systems beyond free fermions ( Read More )
SEPTEMBER 22, 2026 Journal Article A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen Bonding ( Read More )
SEPTEMBER 22, 2026 Report Thermodynamics of Tritium Trapping by Point Defects at Interfacial Cr-based Phases of the Al Coating ( Read More )
JUNE 4, 2026 Journal Article Direction-specific enhanced diffusion of CO2 in chiral hexagonal boron nitride nanotubes ( Read More )