Special quasirandom structures

• Atomic‐Scale Study on Core–Shell Cu Precipitation in Steels: Atom Probe Tomography and Ab Initio Calculations

  2024 steel research international article Engineering Microstructure and Mechanical Properties of Steels Open access

  3

  citations
• Thermo‐Electro‐Magnetic Interactions and ≈1 nm Fe Interfacial Layer Realize High Average ZT in Fe/Mg3(Sb,Bi)2 Below 300 °C

  2024 Advanced Functional Materials article Materials Science Advanced Thermoelectric Materials and Devices

  15

  citations
• The Legacy of “The Regular Solution Model for Stoichiometric Phases and Ionic Melts”

  2024 Journal of Phase Equilibria and Diffusion article Engineering Metallurgical Processes and Thermodynamics

  11

  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
• 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
• 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
• Delithiation-induced secondary phase formation in Li-rich cathode materials

  2024 Journal of Materials Chemistry A article Engineering Advancements in Battery Materials Open access

  3

  citations
• Refined DFT＋ U method for computation of layered oxide cathode materials

  2023 Electrochimica Acta article Engineering Advancements in Battery Materials

  17

  citations
• Yttrium incorporation in Cr 2 AlC: On the metastable phase formation and decomposition of (Cr,Y) 2 AlC MAX phase thin films

  2022 Journal of the American Ceramic Society article Materials Science MXene and MAX Phase Materials Open access

  8

  citations
• Tuning Electronic Structure and Composition of FeNi Nanoalloys for Enhanced Oxygen Evolution Electrocatalysis via a General Synthesis Strategy

  2022 Small article Energy Electrocatalysts for Energy Conversion Open access

  24

  citations
• Ab initio-guided X-ray photoelectron spectroscopy quantification of Ti vacancies in Ti 1 − δ O x N 1 − x thin films

  2022 Acta Materialia article Materials Science Electron and X-Ray Spectroscopy Techniques Open access

  5

  citations
• Pyrochlore Compounds From Atomistic Simulations

  2021 Frontiers in Chemistry article Materials Science Nuclear materials and radiation effects Open access

  14

  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
• Spinodal decomposition of reactively sputtered (V0.64Al0.36)0.49N0.51 thin films

  2020 Surface and Coatings Technology article Engineering Metal and Thin Film Mechanics Open access

  15

  citations

14 results