Hydrogen absorption around neutral and charged Ni atoms

✍ Scribed by S.N. Khanna; F. Reuse

• Book ID: 103030226
• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 456 KB
• Volume: 205
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)89238-d

✦ Synopsis

The electronic structure and the stability of cationic, neutral and anionic NiH,, (n= 1, 2, 4 and 6) clusters have been studied using the linear combination of atomic orbitals-molecular orbital approach within the density functional scheme. While the cations are found to contain hydrogen in molecular form, neutral and anionic clusters have dissociated hydrogen at small sizes. NiH:+ and NiH:-are shown to be stable despite Coulomb repulsion between the extra charges.