Computational Density Functional Theory Study of Hydrazine Adsorption on Ni(110) Surface

Autor: Aji, Kumowarih Trisno, Purwoko, Prasetiyo Hadi, Refino, Andam Deatama, Agusta, Mohammad Kemal, Dipojono, Hermawan Kresno
Zdroj: Advanced Materials Research; July 2015, Vol. 1112 Issue: 1 p217-220, 4p
Abstrakt: Hydrazine adsorption on Ni(110) surface is studied using density functional theory. Adsorption of hydrazine in its critical conformations (anti, cis, and gauche) on both 0.25 ML and 0.11 ML coverages are investigated. The results reveal that on both coverage, gauche conformations are adsorbed as the most stable conformation. The stable conformation tends to shift to cis as the coverage is reduced. Density of states analysis suggests that dz2-band of Ni and pz orbital of hydrazine are responsible for bonding formation between two constituents.
Databáze: Supplemental Index