January 10, 2011Open Access
Density functional theory in surface chemistry and catalysis
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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.
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Authors
Jens K. Nørskov
Technical University of Denmark
F
Frank Abild‐Pedersen
California Institute of Technology
F
Felix Studt
Karlsruhe Institute of Technology
Journals
Proceedings of the National Academy of Sciences
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Institutions
Stanford University
Technical University of Denmark
SLAC National Accelerator Laboratory
References and Citations
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