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2025.3.17
Defect-Driven Evolution of Oxo-Coordinated Cobalt Active Sites with Rapid Structural Transformation for Efficient Water Oxidation
NEW
2025.3.17
Tunable Ion Energy Barrier Modulation through Aliovalent Halide Doping for Reliable and Dynamic Memristive Neuromorphic Systems
NEW
2025.3.17
Constructing Reversible Li Deposition Interfaces by Tailoring Lithiophilic Functionalities of Heteroatom-Doped Graphene Interlayer for Highly Stable Li Metal Anodes
NEW
2025.3.17
Sustained Area-Selectivity in Atomic Layer Deposition of Ir Films: Utilization of Dual Effects of O3 in Deposition and Etching
NEW
2025.3.17
Atom-by-atom design of Cu/ZrOx clusters on MgO for CO2 hydrogenation using liquid-phase atomic layer deposition
NEW
2025.3.17
Facile Synthesis of Nanoporous Mg Crystalline Structure by Organic Solvent-Based Reduction for Solid-State Hydrogen Storage
2025.2.20
Interconnected Lamellar 3D Semiconductive PCP for Rechargeable Aqueous Zinc Battery Cathodes
2025.2.20
Direct derivation of anisotropic atomic displacement parameters from molecular dynamics simulations demonstrated in thermoelectric materials
2025.1.24
Structural Stabilization and Superior Electrochemical Performance of Yttrium-Doped O₃-NaFe₀.₄Ni₀.₃Mn₀.₃O₂ Cathodes for Sodium-Ion Batteries
2024.12.6
Neural Network Potential Molecular Dynamics Simulations of (La,Ce,Pr,Nd)0.95(Mg,Zn,Pb,Cd,Ca,Sr,Ba)0.05F2.95
2024.12.6
Molecular dynamics study of the effect of composition on elastic properties of silicon oxynitride films
2024.11.11
Molecular Dynamics of Catalyst-Free Edge Elongation of Boron Nitride Nanotubes Coaxially Grown on Single-Walled Carbon Nanotubes
2024.10.31
Solid-liquid phase boundary of oxide solid solutions using neural network potentials
2024.10.31
Theoretical Catalyst Screening of Multielement Alloy Catalysts for Ammonia Synthesis Using Machine Learning Potential and Generative Artificial Intelligence
2024.10.31
Effects of Alkyl Side Chain Length on the Structural Organization and Proton Conductivity of Sulfonated Polyimide Thin Films
2024.10.21
Rise of machine learning potentials in heterogeneous catalysis: Developments, applications, and prospects
2024.10.21
Intelligent Stress-Adaptive Binder Enabled by Shear-Thickening Property for Silicon Electrodes of Lithium-Ion Batteries
2024.10.11
Exploring Electrolyte Adsorption on the Different Types of Layered Cathode Surfaces in Lithium-Ion Batteries via a Universal Neural Network Potential Method
2024.10.11
Universal Neural Network Potential-Driven Molecular Dynamics Study of CO2/O2 Evolution at the Ethylene Carbonate/Charged–Electrode Interface
2024.10.11
Experimental study on Na⁺ conductivity in NaAlBr4 and atomic-scale investigation of Na+ conduction
