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

Soohaeng Yoo; Xiao Cheng Zeng

doi:10.1002/anie.200461753

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

Soohaeng Yoo, Xiao Cheng Zeng

Chemistry

Research output: Contribution to journal › Article › peer-review

110 Scopus citations

Abstract

Generic structural motif: Small to medium-sized, energetically low-lying silicon clusters Si_n (11 < n < 30) are generally prolate in shape. Starting from Si₁₆, DFT calculations show that silicon clusters are most likely built on a generic structural motif consisting of an Si₆ sixfold puckered ring subunit (dark green) and a magic-number cluster such as the Si₆ tetragonal bipyramid (light green), rather than on the Si₉ tricapped trigonal prism (pink).

Original language	English (US)
Pages (from-to)	1491-1494
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	44
Issue number	10
DOIs	https://doi.org/10.1002/anie.200461753
State	Published - Feb 25 2005

Keywords

Ab initio calculations
Cluster compounds
Density functional calculations
Silicon

ASJC Scopus subject areas

Catalysis
Chemistry(all)

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10.1002/anie.200461753

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abstract = "Generic structural motif: Small to medium-sized, energetically low-lying silicon clusters Sin (11 < n < 30) are generally prolate in shape. Starting from Si16, DFT calculations show that silicon clusters are most likely built on a generic structural motif consisting of an Si6 sixfold puckered ring subunit (dark green) and a magic-number cluster such as the Si6 tetragonal bipyramid (light green), rather than on the Si9 tricapped trigonal prism (pink).",

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KW - Ab initio calculations

KW - Cluster compounds

KW - Density functional calculations

KW - Silicon

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

Abstract

Keywords

ASJC Scopus subject areas

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