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Size-dependent elastic properties of single-walled ZnO nanotubes: A first-principles study
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10.1063/1.3573508
/content/aip/journal/jap/109/8/10.1063/1.3573508
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/8/10.1063/1.3573508
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) The binding energy as a function of SWZONT diameter. The colored horizontal dash lines denote the binding energy of the corresponding sheet. Inserted picture: optimized armchair (left) and zigzag (right) nanotubes. Coloring denotes atomic type: blue, zinc atom; and red, oxygen atom.

Image of FIG. 2.
FIG. 2.

(Color online) The dependence of Young’s modulus of SWZONT on diameter. The colored horizontal dash line stands for the Young’s modulus of the corresponding sheet.

Image of FIG. 3.
FIG. 3.

(Color online) The average Zn−O bond length of SWZONT as a function of diameter. The colored horizontal dash line stands for the Zn−O bond length of corresponding sheet. Noted that the bond length of zigzag tube will be equal to that of armchair one when the diameter is infinite.

Image of FIG. 4.
FIG. 4.

(Color online) The amount of charge transfer from Zn to O atom in SWZONTs with different diameters. Inserted picture: the charge density differences perpendicular to the axial direction of (4,4) tube. Red solid and blue dash lines correspond to positive and negative values, respectively.

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/content/aip/journal/jap/109/8/10.1063/1.3573508
2011-04-21
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Size-dependent elastic properties of single-walled ZnO nanotubes: A first-principles study
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/8/10.1063/1.3573508
10.1063/1.3573508
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