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Structural and homotop optimization of neutral Al–Si nanoclusters

The geometry and stability of aluminum–silicon alloys up to 13 atoms are investigated using electronic structure methods. The results agree well with available experimental data, while also predicting new potential candidates for detection. The exploration of the potential energy hypersurface of such particl

Authors:   Ana D. P. Silveira; Alexandre C. R. Gomes; Breno R. L. Galvão
Journal:   Physical Chemistry Chemical Physics
Volume:   20
edition:   25
Pages:   17464
DOI:   10.1039/C8CP03233E
Facts, background information, dossiers
  • stability
  • nanoclusters
  • Energy
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