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Showing 1–4 of 4 results
Advanced filters: Author: Suchismita Sarker Clear advanced filters

  • Co–Mn spinel oxides are the most promising precious-metal-free catalysts for oxygen reduction in alkaline electrolytes, but their structure–activity properties are not yet fully understood. Now, in situ XRD and REXS performed on MnCo2O4 identify surface tensile strain at low potentials and a reversible transformation between cubic and tetragonal structures.

    • Jason J. Huang
    • Yao Yang
    • Andrej Singer
    Research
    Nature Catalysis
    Volume: 8, P: 116-125

  • Li et al. report large circular dichroism in 2D chiral perovskite single crystals, arises from the inorganic sublattice, instead of chiral ligands, driven by electron-hole exchange interactions. This is evidenced by both reflective circular dichroism spectroscopy and ab initio theory.

    • Shunran Li
    • Xian Xu
    • Peijun Guo
    ResearchOpen Access
    Nature Communications
    Volume: 15, P: 1-9

  • Machine learning driven research holds big promise towards accelerating materials’ discovery. Here the authors demonstrate CAMEO, which integrates active learning Bayesian optimization with practical experiments execution, for the discovery of new phase- change materials using X-ray diffraction experiments.

    • A. Gilad Kusne
    • Heshan Yu
    • Ichiro Takeuchi
    ResearchOpen Access
    Nature Communications
    Volume: 11, P: 1-11

  • In data-driven approaches for materials discovery, it is essential to account for phase stability when predicting synthesizability. Here, by combining density functional theory calculations and machine learning, the authors predict the synthesizability of unreported half-Heusler compositions.

    • Andrew Lee
    • Suchismita Sarker
    • Christopher Wolverton
    ResearchOpen Access
    Communications Materials
    Volume: 3, P: 1-11