Ab initio molecular dynamics for open-shell transition metals

• Emergent interacting phases in the strong-coupling limit of twisted M -valley moiré systems: Application to SnSe 2

  2026 Physical review. B./Physical review. B article Materials Science 2D Materials and Applications

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  citations
• Improved oxidation resistance of B-overstoichiometric Hf0.33-xAlxB0.67+y compared to Ti0.33-xAlxB0.67+y thin films: The role of point defects on grain boundary composition

  2026 Materials & Design article Materials Science Advanced ceramic materials synthesis Open access

  0

  citations
• Suppressing lattice expansion via engineering oxygen vacancy into sub-5nm NiO for durable methanol electrooxidation

  2026 Research Square preprint Energy Electrocatalysts for Energy Conversion Open access

  0

  citations
• Benchmarking Orbital-Free Density-Potential Functional Theory of Electrified Metal-Solution Interfaces

  2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• Improved oxidation resistance of B-overstoichiometric Hf0.33-xAlxB0.67±y compared to Ti0.33-xAlxB0.67±y thin films: The role of point defects on grain boundary composition

  2026 SSRN Electronic Journal preprint Engineering Metal and Thin Film Mechanics Open access

  0

  citations
• Improved thermal stability of NbCoSn half-Heusler compounds via Sb doping-induced complementary point defect evolution

  2025 Chemical Engineering Journal article Materials Science Advanced Thermoelectric Materials and Devices

  2

  citations
• Hierarchical precipitation in a partially recrystallized matrix makes an ultrastrong and ductile lightweight steel

  2025 Journal of Material Science and Technology article Engineering Microstructure and Mechanical Properties of Steels

  11

  citations
• Site-specific reactivity of stepped Pt surfaces driven by stress release

  2024 Nature article Energy Electrocatalysts for Energy Conversion Open access

  164

  citations
• Ion kinetic energy- and ion flux-dependent mechanical properties and thermal stability of (Ti,Al)N thin films

  2023 Acta Materialia article Engineering Metal and Thin Film Mechanics Open access

  26

  citations
• Three-dimensional Langevin dynamics of N atom scattering from N-covered Ag(111)

  2022 Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  1

  citations
• Enhanced thermal stability of (Ti,Al)N coatings by oxygen incorporation

  2021 Acta Materialia article Engineering Metal and Thin Film Mechanics

  51

  citations
• A Proposal for a Composite with Temperature-Independent Thermophysical Properties: HfV2–HfV2O7

  2020 Materials article Materials Science Thermal Expansion and Ionic Conductivity Open access

  6

  citations
• Kinetically Limited Phase Formation of Pt-Ir Based Compositionally Complex Thin Films

  2020 Materials article Engineering High Entropy Alloys Studies Open access

  6

  citations
• Effect of synthesis temperature on the phase formation of NiTiAlFeCr compositionally complex alloy thin films

  2020 Journal of Alloys and Compounds article Engineering High Entropy Alloys Studies Open access

  8

  citations
• Quantum-mechanical study of interaction between polycarbonate and M0.5Al0.5N(0 0 1) surfaces (M = Ti, V, Cr)

  2020 Applied Surface Science article Materials Science Polymer Surface Interaction Studies Open access

  2

  citations
• On thermal conductivity of amorphous niobium monoxide

  2020 Journal of Physics D Applied Physics article Materials Science Thermal properties of materials

  15

  citations

16 results