array(2) { ["lab"]=> string(3) "894" ["publication"]=> string(4) "6649" } Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework - 卢成课题组 | LabXing

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大学 中国地质大学（武汉） / 数学与物理学院
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Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework

2018
期刊 Physical Chemistry Chemical Physics
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The lowest-energy structure ZrB12 shows that the dopant Zr atom breaks the triangle B3 present in other M@B12 clusters (M = Co, Rh, Ir) to form a quasi-linear B3 unit in the B12 motif and induce strong Zr–B interactions that enhance the stability of the neutral half-sandwich ZrB12 cluster.

  • 卷 20
  • 期 36
  • 页码 23740-23746
  • Royal Society of Chemistry (RSC)
  • ISSN: 1463-9076
  • DOI: 10.1039/c8cp03384f
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