Non-dissociative activation of chemisorbed dinitrogen on Ni{110} by co-adsorbed lithium

作者：Liu Tao^*; Temprano Israel; Jenkins Stephen J; King David A

来源：Journal of Chemical Physics, 2013, 139(18): 184708.

DOI：10.1063/1.4829067

Weakening the intramolecular N-N bond is essential to promote direct hydrogenation of adsorbed N-2 on catalyst surfaces. The interaction of N-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(-1) compared to the gas phase. Some increased thermal stability of the most weakened N-2,N-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 2 pi* antibonding orbital of N-2 due to both the Li-induced surface electrostatic field, and the formation of Li-x(N-2)(y) surface complexes.

• 出版日期2013-11-14