Density functional theory in surface chemistry and catalysis
Jens K. NørskovCenter for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, DenmarkFrank Abild‐PedersenCenter for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, DenmarkFelix StudtCenter for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, DenmarkThomas BligaardCenter for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark
2011en
ABI
Annotatsiya
Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts in a few cases. The current status of the field is discussed with an emphasis on the role of coupling theory and experiment and future challenges.
Hali tarjima qilinmagan
Identifikatorlar
Iqtiboslar va manbalar
2 ta iqtibos0 ta foydalanilgan manba