Coadsorption of hydrazine and OH on the Ni(211) surface: A DFT study

• Published in: Surface science Vol. 714; p. 121931
• Main Authors: Hidayat, Novianto Nur, Agusta, Mohammad Kemal, Dipojono, Hermawan Kresno, Nakanishi, Hiroshi, Kasai, Hideaki
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.12.2021; Elsevier BV
• Subjects: Density functional theory; Elongation; Hydrazines; Hydrogen bonds; Stability

•Stabilization of N2H4 cis conformation on Ni(211) step-edges•Formation of effective hydrogen bond mediated interaction between N2H4 and OH on Ni(211) step-edges.•Viable structures for proton transfer reaction from N2H4 to OH. Hydrazine (N2H4) and hydroxyl (OH) coadsorption on the Ni(211) surface is...