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  1. Non-Grotthuss proton diffusion mechanism in tungsten oxide dihydrate from first-principles calculations
  2. Theory of mass transport in sodium alanate
  3. Tunable topological electronic structures in Sb(111) bilayers: A first-principles study
  4. Lone pair electrons minimize lattice thermal conductivity
  5. Electronic structures of an epitaxial graphene monolayer on SiC(0001) after metal intercalation (metal = Al, Ag, Au, Pt, and Pd): A first-principles study