Density Functional Theory in Surface Chemistry and Catalysis
Journal Article
·
· Submitted to Proceedings of Science
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. Current status of the field is discussed with an emphasis on the role of coupling between theory and experiment and future challenges.
- Research Organization:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC02-76SF00515
- OSTI ID:
- 1014129
- Report Number(s):
- SLAC-PUB-14306; TRN: US201111%%32
- Journal Information:
- Submitted to Proceedings of Science, Journal Name: Submitted to Proceedings of Science
- Country of Publication:
- United States
- Language:
- English
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