Hydrazine (N2H4) adsorption on Ni(1 0 0) - Density functional theory investigation
College
College of Science
Department/Unit
Physics
Document Type
Article
Source Title
Surface Science
Volume
604
First Page
245
Last Page
251
Publication Date
2010
Abstract
A theoretical study on the structure and adsorption mechanism of hydrazine (N2H4) on Ni(1 0 0) are presented. The hydrazine molecule was found to adsorb on the surface through one of its nitrogen atom in its anti-conformation. The charge transfer from hydrazine lone pair orbitals played a key role in the formation of the bonding. The mechanism involved in the bonding was found to reduce the necessity of hyper-conjugation interaction, that reduces the gauche effect found in hydrazine at the gas-phase. Upon adsorption to the surface, the reduced interaction resulted in the promotion of a more favored conformation through its anti-conformation.
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Recommended Citation
Agusta, M., David, M. Y., Nakanishi, H., & Kasai, H. (2010). Hydrazine (N2H4) adsorption on Ni(1 0 0) - Density functional theory investigation. Surface Science, 604, 245-251. Retrieved from https://animorepository.dlsu.edu.ph/faculty_research/6774
Disciplines
Physics
Keywords
Hydrazine—Absorption and adsorption; Nickel; Density functionals
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