Hydrazine (N2H4) adsorption on Ni(1 0 0) - Density functional theory investigation

• المؤلفون الرئيسيون: Agusta, Mohammad Kemal, David, Melanie Y., Nakanishi, Hiroshi, Kasai, Hideaki
• التنسيق: text
• منشور في: Animo Repository 2010
• الموضوعات: Hydrazine—Absorption and adsorption; Nickel; Density functionals; Physics
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/6774
• المؤسسة: De La Salle University

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 i...