Wednesday, September 09, 2015

B28: the smallest all-boron cage from an ab initio global search

Nanoscale, 2015, Advance Article
DOI: 10.1039/C5NR04034E, Communication
Jijun Zhao, Xiaoming Huang, Ruili Shi, Hongsheng Liu, Yan Su, R. Bruce King
Our ab initio global searches reveal the lowest-energy cage for B28, which is built from two B12 units and prevails over the competing structural isomers such as planar, bowl, and tube.
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