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Theoretical insight into structural and electronic properties of cationic Scn+ (n=2-13): A benchmark study

  • Published:2018-12 Issue: Volume:86 Page:60-68
  • ISSN:1293-2558
  • Container-title:Solid State Sciences
  • language:en
  • Short-container-title:Solid State Sciences

Author:

Sajjad Saira,Mahmood Tariq,Ludwig Ralf,Ayub Khurshid

Funder

COMSATS Institute of Information Technology, Abbottabad

Higher Education Commission of Pakistan

Deutsche Forschungsgemeinschaft (DFG)

Publisher

Elsevier BV

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Reference54 articles.

1. Reactivity of small cationic platinum clusters;Koszinowski;J. Phys. Chem.,2003

2. Comparative ab Initio Study of CO Adsorption on Sc n and Sc n O (n= 2–13) clusters;Wang;J. Phys. Chem.,2011

3. Structural, electronic, and magnetic properties of Sc n (n= 2–18) clusters from density functional calculations;Wang;Phys. Rev. B,2007

4. Size dependent structural, electronic, and magnetic properties of ScN (N= 2-14) clusters investigated by density functional theory;Bhunia;J. Mol. Model.,2014

5. A density functional study of Sc -2 and Sc -3;Pápai;Chem. Phys. Lett.,1997

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