April 04, 2008 article Open access Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Physical Review Letters DOI: 10.1103/physrevlett.100.136406 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 60 stored of 12,091 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Borosulfates Hosting Se 4 2+ Ions—Crystal Structures, Chemical Bonding, Optical Spectroscopy, and Magnetism 2026 Angewandte Chemie International Edition article Materials Science Crystal Structures and Properties Open access 0 citations Borosulfates Hosting Se 4 2+ Ions—Crystal Structures, Chemical Bonding, Optical Spectroscopy, and Magnetism 2026 Angewandte Chemie article Materials Science Crystal Structures and Properties Open access 0 citations Vacancy-concentration-dependent thermal stability of fcc-(Ti,Al)Nx predicted via chemical-environment-sensitive diffusion activation energies 2026 Surface and Coatings Technology article Engineering Metal and Thin Film Mechanics Open access 0 citations Phase-Pure Synthesis and Thermal Transport Properties of Metallic Telluride Cu5Ge2Te7 2026 Chemistry of Materials article Materials Science Advanced Thermoelectric Materials and Devices 1 citations Assessing the potential of zero charge in ab initio molecular dynamics simulations 2026 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 2 citations Impact of O concentration on the thermal stability and decomposition mechanism of (Cr,Al)N compared to (Ti,Al)N thin films 2026 Acta Materialia article Engineering Metal and Thin Film Mechanics Open access 0 citations Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+ U for Mixed d–f Electron Compounds 2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 3 citations Pressure-Induced Stabilization of 3D Hyperhoneycomb Li 2 (Sn 1– x Ru x )O 3 2025 Journal of the American Chemical Society article Earth and Planetary Sciences High-pressure geophysics and materials 2 citations Enhanced oxygen evolution on NiOOH through Fe-promoted transformation of β to γ phase 2025 Acta Materialia article Energy Electrocatalysts for Energy Conversion Open access 26 citations Orbital-based bonding analysis in solids 2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access 28 citations Exploring the correlation between chemical bonding and structural distortions in TbCu0.33Te2 2024 Journal of Physics Condensed Matter article Materials Science Crystal Structures and Properties 4 citations Passivating oxidation behavior of Ti0.12Al0.21B0.67 coatings investigated by scanning transmission electron microscopy and chemical environment dependent density functional theory simulations 2024 Acta Materialia article Engineering High-Temperature Coating Behaviors Open access 6 citations Optimization of ionic configurations in battery materials by quantum annealing 2024 Physical review. B./Physical review. B article Computer Science Quantum Computing Algorithms and Architecture Open access 5 citations Dependence of Oxygen Diffusion on the La and Sr Configuration in Melilite-Type La 1+ x Sr 1– x Ga 3 O 7+ x /2 by Neural Network Potential Molecular Dynamics Simulation 2024 The Journal of Physical Chemistry C article Materials Science Advancements in Solid Oxide Fuel Cells Open access 3 citations Best-of-both-worlds computational approaches to difficult-to-model dissociation reactions on metal surfaces 2024 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access 15 citations Influence of co-sputtering AlB 2 to TaB 2 on stoichiometry of non-reactively sputtered boride thin films 2024 Materials Research Letters article Engineering Metal and Thin Film Mechanics Open access 10 citations Thermodynamic and structural characterization of high-entropy garnet electrolytes for all-solid-state battery 2024 Frontiers in Energy Research article Engineering Advanced Battery Materials and Technologies Open access 7 citations Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation 2024 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access 9 citations A radiochemical lab-on-a-chip paired with computer vision to unlock the crystallization kinetics of (Ba,Ra)SO4 2024 Scientific Reports article Materials Science Crystallization and Solubility Studies Open access 10 citations Computing formation enthalpies through an explainable machine learning method: the case of lanthanide orthophosphates solid solutions 2024 Frontiers in Applied Mathematics and Statistics article Materials Science Machine Learning in Materials Science Open access 1 citations 1–20 of 60 Page 1 / 3 Next → References 0