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Tuning thermal conductivity of bilayer graphene by inter-layer bonding: A molecular dynamics study
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10.1063/1.4740259
/content/aip/journal/apl/101/5/10.1063/1.4740259
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/5/10.1063/1.4740259
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Figures

Image of FIG. 1.
FIG. 1.

(a) The schematic model of bilayer graphene with randomly distributed additional bonding interactions between C atoms from top and bottom layers (black-colored carbon atoms). The periodic and fixed boundary conditions were imposed along y and x-directions, respectively. (b) A local arrangement of C-C single bonds and C=C double bonds around one C atom with additional inter-layer bond.

Image of FIG. 2.
FIG. 2.

(a) The calculated heat flux in the system by measuring the energy (E) added to the hot bath ( K) and subtracted from the cold bath ( K). (b) The temperature profile of bilayer graphene with 1.5% concentration of inter-layer bonds. The calculated is obtained from the temperature gradient in the linear region.

Image of FIG. 3.
FIG. 3.

The calculated of bilayer graphene with respect to inter-layer bond concentration. The results are non-dimensionalized with the thermal conductivity of pristine bilayer graphene () with 0% concentration of bonds.

Image of FIG. 4.
FIG. 4.

The power spectra of C atom of PBLG with non-bonding interactions with other layer (red line), and that of IBBLG connected by an bond to other layer (green line). The spectra are also decomposed along in-plane (x and y) and out-of-plane (z) directions (top curves).

Image of FIG. 5.
FIG. 5.

The power spectra of C atom of PBLG with non-bonding interactions with other layer (red line) and for C atom in the monolayer graphene (cyan line). The spectra are also decomposed along in-plane (x and y) and out-of-plane (z) directions (top curves).

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/content/aip/journal/apl/101/5/10.1063/1.4740259
2012-08-01
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Tuning thermal conductivity of bilayer graphene by inter-layer sp3 bonding: A molecular dynamics study
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/5/10.1063/1.4740259
10.1063/1.4740259
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