title: Non-dissociative activation of chemisorbed dinitrogen on Ni{110} by co-adsorbed lithium.
abstract: Weakening the intramolecular N-N bond is essential to promote direct hydrogenation of adsorbed N2 on catalyst surfaces. The interaction of N2 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(-1) compared to the gas phase. Some increased thermal stability of the most weakened N2,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 N2 due to both the Li-induced surface electrostatic field, and the formation of Lix(N2)y surface complexes.
authors: Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
authors: Tao
authors: T
authors: Liu
authors: Israel
authors: I
authors: Temprano
authors: Stephen J
authors: SJ
authors: Jenkins
authors: David A
authors: DA
authors: King
mesh_terms: D000327:Adsorption; D002384:Catalysis; D008094:Lithium / Q000737:chemistry*; D009532:Nickel / Q000737:chemistry*; D009584:Nitrogen / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D009532:Nickel; D008094:Lithium; D009584:Nitrogen