All Stories

  1. Quantification of curvature effects in boron and carbon nanotubes: Band structures and ballistic current
  2. Not just reviews - now communications too!
  3. Simulation of reconstructions of the polar ZnO ( 0001 ) surfaces
  4. Adlayer inhomogeneity without lateral interactions: Rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo
  5. Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations
  6. Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
  7. Electronic structure and magnetism in sodium nickelate: Density-functional and model studies
  8. Ferrodistorsive orbital ordering in the layered nickelate NaNiO2: A density-functional study
  9. Self-trapped magnetic polaron in electron-doped CaMnO 3
  10. Orbital ordering and exchange interaction in the manganites