Literature DB >> 26350206

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

Jijun Zhao1, Xiaoming Huang, Ruili Shi, Hongsheng Liu, Yan Su, R Bruce King.   

Abstract

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. This smallest boron cage extends the scope of all-boron fullerene and provides a new structural motif of boron clusters and nanostructures.

Entities:  

Year:  2015        PMID： 26350206     DOI： 10.1039/c5nr04034e

Source DB:  PubMed          Journal:  Nanoscale        ISSN： 2040-3364            Impact factor:   7.790


  6 in total

1.  Endohedral metalloborofullerenes M@B44 (M = Ca, Sr, Ba): a computational investigation.

Authors:  Le Yang; Peng Jin; Qinghua Hou; Lanlan Li
Journal:  J Mol Model       Date:  2016-11-28       Impact factor: 1.810

2.  Computational investigation on MB n (M = Li-Cs, Be-Ba, Sc-La and Ti; n = 28 and 38).

Authors:  Qianhui Xu; Chang Liu; Le Yang; Peng Jin; Chengchun Tang; Zhongfang Chen
Journal:  J Mol Model       Date:  2016-07-16       Impact factor: 1.810

3.  Metastable exohedrally decorated Borospherene B40.

Authors:  Santanu Saha; Luigi Genovese; Stefan Goedecker
Journal:  Sci Rep       Date:  2017-08-08       Impact factor: 4.379

4.  Comparison Between Electride Characteristics of Li3@B40 and Li3@C60.

Authors:  Prasenjit Das; Pratim Kumar Chattaraj
Journal:  Front Chem       Date:  2021-03-15       Impact factor: 5.221

5.  TM4B18 0/- (TM = Hf, Ta, W, Re, Os): new structure construction with TM doped B wheel units.

Authors:  Zhen Wang; Qiuying Du; Sung Jin Park
Journal:  RSC Adv       Date:  2021-05-24       Impact factor: 4.036

6.  B12-containing volleyball-like molecule for hydrogen storage.

Authors:  Jing-Jing Guo; Hui-Yan Zhao; Jing Wang; Ying Liu
Journal:  RSC Adv       Date:  2020-02-26       Impact factor: 4.036
  6 in total

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