Acidic Oxygen Reduction by Single-Atom Fe Catalysts on Curved Supports

Scaled Crystalline Antimony Ohmic Contacts for Two-Dimensional Transistors

Extending the Schottky–Mott Rule to Atomic Thickness: Descriptors for Two-Dimensional Semiconductor–Metal Contacts

Mechanism- and Data-Driven Exploration of a Global Descriptor for CO₂ Reduction

Large Magnetic Anisotropy and High Spin State in Two-Dimensional MnIn₂⁢Se₃⁢I₂

Zero-Field Anomalous Hall Effect in Bulk Single Crystal Mn₃Ir

Dual-Defect Donor–Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO₂ Photoreduction

A Descriptor-Driven Thermodynamic Framework for Achieving Unidirectional Nucleation in 2D Material Epitaxy

Near-100% Spontaneous Rolling Up of Polar van der Waals Materials

Deciphering the Structure–Activity–Selectivity Relationship of High-Entropy Alloys for CO₂ Reduction via Interpretable Machine Learning

Gradient-Structured Directional Porous Floatable Aerogels for Effective Solar-Driven Hydrogen Production and Steam Generation

Active Learning for Accelerated Discovery of Two-Dimensional Magnetic Topological Materials

Toward the Thermoelectric ZT Limit via the Quantification of Interface-Driven Carrier Sorting

Accurate Prediction of Synthesizability and Precursors of 3D Crystal Structures via Large Language Models

Edge-Dominated Epitaxy of Topological Insulator Bi₂Se₃ with Ultrabroadband Response

Homoepitaxial Growth of Large-Area Rhombohedral-Stacked MoS₂

Feature-Extended Descriptor Construction for Prediction of Consecutive Elementary Reaction Energies in Methane Oxidation

Machine Learning Assisted Material Discovery: A Small Data Approach

Phase Engineering of Nanomaterials: Metal Nanomaterials

Active Learning-Driven Discovery of Donor-Acceptor Covalent Triazine Frameworks for High-Performance Photocatalysts

Efficient and Accurate Prediction of Double Perovskite Quasiparticle Band Gaps via Machine Learning and a Descriptor

Carbon-Extraction-Triggered Phase Engineering of Rhodium Nanomaterials for Efficient Electrocatalytic Nitrate Reduction Reaction

Deterministic Magnetization Switching with Controllable Chirality in Single Sperimagnetic NiFeTb Layers

Nickel-Doped Facet-Selective Copper Nanowires for Activating CO-to-Ethanol Electrosynthesis

目标性质导向的材料生成: 迈向按需构筑的材料逆向设计

Tandem Synergistic Catalysis on Cu–Pd/Bi₄Ti₃O₁₂ Nanorods Promoting Highly Selective Photoconversion of CO₂ to Ethyl Alcohol

Synergy of Facet and Defect on Carrier Dynamics of Photocatalyst Particles

Single-Atom-Induced Hybridization States Promote the Direct Trapping of Hot Carriers by Reactants for Photocatalysis

Single-Atom Saturation: A Fundamental Principle for Single-Atom-Site Catalyst Design

Machine Learning Assisted Design of Type-II Two-Dimensional Heterostructures for Photocatalytic Water Splitting

Inverse Design of Promising Electrocatalysts for CO₂ Reduction via Generative Models and Bird Swarm Algorithm

How to Accelerate the Inorganic Materials Synthesis: From Computational Guidelines to Data-Driven Method?

Synergistic Strain and N-Doping for Creating Physical Orientation Selectivity in Chemical Etching of Graphene Nanoribbons

How the Spacer Influences the Stability of 2D Perovskites?

Machine Learning-Assisted Design of Nitrogen-Rich Covalent Triazine Frameworks Photocatalysts

Nickel-Doped Facet-Selective Copper Nanowires for Activating CO-to-Ethanol Electrosynthesis