Science · 2017 · 335 citations · 32 references
Natural SciencesChemistryMaterials ScienceCatalysisSurface ChemistrySurface ScienceCarbon MonoxideCatalysis At SurfacesCatalytic MaterialsSurface CatalysisSurface PhysicsSurface ReactionsCarbon DioxideFeedstock UtilizationIridium Oxide CatalystsMethaneMethane ChemistryOxygen - Oxygen Bond FormationSurface Oxygen AdsorptionVacuum Conditions
Low-temperature methane reactions Methane is a potential feedstock for more valuable products. The strong carbon-hydrogen bonds of methane can be activated by heterogeneous catalysts but often at temperatures that make it difficult to control reactions selectively. Liang et al. show that methane, adsorbed on the stoichiometric IrO 2 (110) under ultrahigh-vacuum conditions, reacts with exposed iridium atoms to break the carbon-hydrogen bonds at temperatures as low as 150 K. On heating, the surface fragments react cleanly with surface oxygen to form carbon dioxide, carbon monoxide, and water. Science , this issue p. 299
32
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17