Literature DB >> 20448877

Icosahedral B12-containing core-shell structures of B80.

Hui Li1, Nan Shao, Bo Shang, Lan-Feng Yuan, Jinlong Yang, Xiao Cheng Zeng.   

Abstract

Low-lying icosahedral (I(h)) B(12)-containing structures of B(80) are explored, and a number of core-shell isomers are found to have lower energy than the previous predicted B(80) fullerene. The structural transformation of boron clusters from tubular structure to core-shell structure may occur at a critical size less than B(80).

Entities:  

Year:  2010        PMID: 20448877     DOI: 10.1039/c002954h

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  7 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 quest for spherical C12B68 fullerenes with "magic" π-electrons and quasi-planar tetra-coordinated carbon.

Authors:  Fengyu Li; De-en Jiang; Zhongfang Chen
Journal:  J Mol Model       Date:  2014-02-14       Impact factor: 1.810

3.  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

4.  Dynamical behavior of Borospherene: A Nanobubble.

Authors:  Gerardo Martínez-Guajardo; José Luis Cabellos; Andres Díaz-Celaya; Sudip Pan; Rafael Islas; Pratim K Chattaraj; Thomas Heine; Gabriel Merino
Journal:  Sci Rep       Date:  2015-06-22       Impact factor: 4.379

5.  Structure evolution of chromium-doped boron clusters: toward the formation of endohedral boron cages.

Authors:  Xuecheng Shao; Xin Qu; Siyu Liu; Lihua Yang; Jinghai Yang; Xiaohui Liu; Xin Zhong; Shuai Sun; G Vaitheeswaran; Jian Lv
Journal:  RSC Adv       Date:  2019-01-23       Impact factor: 3.361

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

7.  From boron cluster to two-dimensional boron sheet on Cu(111) surface: growth mechanism and hole formation.

Authors:  Hongsheng Liu; Junfeng Gao; Jijun Zhao
Journal:  Sci Rep       Date:  2013-11-18       Impact factor: 4.379

  7 in total

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