Density functional theory in surface chemistry and catalysis
SLAC National Accelerator Laboratory · Technical University of Denmark · +1 more institution
Indexed incrossrefpubmed
Abstract
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.
Citation impact
2,488
total citations
- FWCI
- 38.94
- Percentile
- 100%
- References
- 88
Citations per year
Authors
4- JKJens K. NørskovCorresponding
SLAC National Accelerator Laboratory, Technical University of Denmark, Stanford University
- FAFrank Abild‐Pedersen
SLAC National Accelerator Laboratory, Technical University of Denmark
- FSFelix Studt
SLAC National Accelerator Laboratory, Technical University of Denmark
- TBThomas Bligaard
Technical University of Denmark
Topics & keywords
Topics
Keywords
- Reactivity (psychology)
- Density functional theory
- Chemistry
- Field (mathematics)
- Nanotechnology
- Catalysis
- Computational chemistry
- Biochemical engineering
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