All Stories

  1. AlScO3 perovskite—An ∼8 eV bandgap oxide predicted to exhibit low small hole polaron ionization energies and p-type conductivity at elevated temperatures
  2. Metastable materials discovery in the age of large-scale computation
  3. Matching crystal structures atom-to-atom
  4. Effective n-type doping of Mg3Sb2 with group-3 elements
  5. Assessing capability of semiconductors to split water using ionization potentials and electron affinities only