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An ab initio investigation of boron nanotube in ringlike cluster form
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10.1063/1.3377790
/content/aip/journal/apl/96/13/10.1063/1.3377790
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/13/10.1063/1.3377790

Figures

Image of FIG. 1.
FIG. 1.

Front and top view of the basic units and corresponding nanotubes. The structure is the DRT-based basic unit. The , , and represent the structures with holes, in which nearest neighboring holes in the same ring are separated by four, six, and eight boron atoms, respectively. The data in brackets indicate the numbers of the boron atoms on each ring of the nanotubes.

Image of FIG. 2.
FIG. 2.

Open double rings of the basic units. The structure is basic form of open double rings with 0 holes; , , present basic forms of open double rings, in which neighboring holes of the same ring are separated by four, six, and eight boron numbers, respectively.

Image of FIG. 3.
FIG. 3.

Total and orbital-decomposed density of states for nanotube formed by basic units (15), (16), (24), and (16). The values of brackets is the atomic numbers of each ring in different basic units.

Image of FIG. 4.
FIG. 4.

Total electron density at a contour value of for nanotubes formed by: (a) (15) basic unit; (b) buckled- (18) basic unit; (c) (24) basic unit. The values of brackets represent the atomic numbers of each ring in different basic units.

Tables

Generic image for table
Table I.

The bond length between borons in each ring , the bond length between neighboring borons in two rings , the average diameter in each ring , and the average binding energy per atom of the four types BNTs. The data in brackets indicate the numbers of boron atoms on each ring.

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/content/aip/journal/apl/96/13/10.1063/1.3377790
2010-03-31
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: An ab initio investigation of boron nanotube in ringlike cluster form
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/13/10.1063/1.3377790
10.1063/1.3377790
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