Motif transition in growth patterns of small to medium-sized silicon clusters

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

112 Scopus Citations
View graph of relations



Original languageEnglish
Pages (from-to)1491-1494
Journal / PublicationAngewandte Chemie - International Edition
Issue number10
Publication statusPublished - 25 Feb 2005
Externally publishedYes


Generic structural motif: Small to medium-sized, energetically low-lying silicon clusters Si<sub>n</sub> (11 &lt; n &lt; 30) are generally prolate in shape. Starting from Si<sub>16</sub>, DFT calculations show that silicon clusters are most likely built on a generic structural motif consisting of an Si<sub>6</sub> sixfold puckered ring subunit (dark green) and a magic-number cluster such as the Si<sub>6</sub> tetragonal bipyramid (light green), rather than on the Si<sub>9</sub> tricapped trigonal prism (pink). © 2005 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Research Area(s)

  • Ab initio calculations, Cluster compounds, Density functional calculations, Silicon

Bibliographic Note

Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to