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

Kumowarih Trisno Aji; Prasetiyo Hadi Purwoko; Andam Deatama Refino; Mohammad Kemal Agusta; Hermawan Kresno Dipojono

doi:10.4028/www.scientific.net/AMR.1112.217

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

Abstract:

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 d_z²-band of Ni and p_z orbital of hydrazine are responsible for bonding formation between two constituents.

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Advanced Materials Research (Volume 1112)

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217-220

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.1112.217

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Online since:

July 2015

Authors:

Kumowarih Trisno Aji*, Prasetiyo Hadi Purwoko, Andam Deatama Refino, Mohammad Kemal Agusta, Hermawan Kresno Dipojono

Keywords:

Adsorption, Density Functional Theory, Hydrazine, Ni (110)

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