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Title: Non-dissociative activation of chemisorbed dinitrogen on Ni(110) by co-adsorbed lithium

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4829067· OSTI ID:22251488
; ; ;  [1]
  1. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

Weakening the intramolecular N–N bond is essential to promote direct hydrogenation of adsorbed N{sub 2} on catalyst surfaces. The interaction of N{sub 2} with Li on Ni(110) surfaces has been investigated. We show that the N–N bond is significantly weakened with increasing Li coverage, evidenced by large redshifts in N–N stretch frequency of up to 380 cm{sup −1} compared to the gas phase. Some increased thermal stability of the most weakened N{sub 2,ads} states is also observed. We speculate that the various observed redshifts in N–N stretch frequency are associated with an enhanced backfilling of the 2π* antibonding orbital of N{sub 2} due to both the Li-induced surface electrostatic field, and the formation of Li{sub x}(N{sub 2}){sub y} surface complexes.

OSTI ID:
22251488
Journal Information:
Journal of Chemical Physics, Vol. 139, Issue 18; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
Country of Publication:
United States
Language:
English

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