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B-28: the smallest all-boron cage from an ab initio global search

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Indexed by:期刊论文

Date of Publication:2015-10-07

Journal:NANOSCALE

Included Journals:EI、PubMed、SCIE、Scopus

Volume:7

Issue:37

Page Number:15086-15090

ISSN No.:2040-3364

Abstract:Our ab initio global searches reveal the lowest-energy cage for B-28, which is built from two B-12 units and prevails over the competing structural isomers such as planar, bowl, and tube. This smallest boron cage extends the scope of all-boron fullerene and provides a new structural motif of boron clusters and nanostructures.

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