Defect-Engineered Heat Transport in Graphene: A Route to High Efficient Thermal Rectification

Weiwei Zhao; Yanlei Wang; Zhangting Wu; Wenhui Wang; Kedong Bi; Zheng Liang; Juekuan Yang; Yunfei Chen; Zhiping Xu; Zhenhua Ni

doi:10.1038/srep11962

journal article Open Access Jul 01, 2015

Defect-Engineered Heat Transport in Graphene: A Route to High Efficient Thermal Rectification

Weiwei Zhao

Yanlei Wang

Zhangting Wu Wenhui Wang

Kedong Bi Zheng Liang

Scientific Reports Vol. 5 No. 1 · Springer Science and Business Media LLC

View at Publisher Save 10.1038/srep11962

Abstract

AbstractLow-dimensional materials such as graphene provide an ideal platform to probe the correlation between thermal transport and lattice defects, which could be engineered at the molecular level. In this work, we perform molecular dynamics simulations and non-contact optothermal Raman measurements to study this correlation. We find that oxygen plasma treatment could reduce the thermal conductivity of graphene significantly even at extremely low defect concentration (∼83% reduction for ∼0.1% defects), which could be attributed mainly to the creation of carbonyl pair defects. Other types of defects such as hydroxyl, epoxy groups and nano-holes demonstrate much weaker effects on the reduction where the sp2 nature of graphene is better preserved. With the capability of selectively functionalizing graphene, we propose an asymmetric junction between graphene and defective graphene with a high thermal rectification ratio of ∼46%, as demonstrated by our molecular dynamics simulation results. Our findings provide fundamental insights into the physics of thermal transport in defective graphene and two-dimensional materials in general, which could help on the future design of functional applications such as optothermal and electrothermal devices.

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References

63

[1]

Superior Thermal Conductivity of Single-Layer Graphene

Alexander A. Balandin, Suchismita Ghosh, Wenzhong Bao et al.

Nano Letters 2008 10.1021/nl0731872

[2]

Klemens, P. G. & Pedraza, D. F. Thermal conductivity of graphite in the basal plane. Carbon 32, 735–741 (1994). 10.1016/0008-6223(94)90096-5

[3]

Ghosh, S. et al. Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits. Appl. Phys. Lett. 92, 151911 (2008). 10.1063/1.2907977

[4]

Mu, X. et al. Thermal transport in graphene oxide--from ballistic extreme to amorphous limit. Sci. Rep. 4, 3909 (2014). 10.1038/srep03909

[5]

Yang, P. et al. Numerical investigation on thermal conductivity and thermal rectification in graphene through nitrogen-doping engineering. Appl. Phys. A 112, 759–765 (2013). 10.1007/s00339-013-7607-5

[6]

Bagri, A., Kim, S. P., Ruoff, R. S. & Shenoy, V. B. Thermal transport across twin grain boundaries in polycrystalline graphene from nonequilibrium molecular dynamics simulations. Nano Lett. 11, 3917–3921 (2011). 10.1021/nl202118d

[7]

Chen, S. et al. Thermal conductivity of isotopically modified graphene. Nat. Mater. 11, 203–207 (2012). 10.1038/nmat3207

[8]

Sreeprasad, T. S. & Berry, V. How do the electrical properties of graphene change with its functionalization? Small 9, 341–350 (2013). 10.1002/smll.201202196

[9]

Hao, F., Fang, D. & Xu, Z. Mechanical and thermal transport properties of graphene with defects. Appl. Phys. Lett. 99, 041901 (2011). 10.1063/1.3615290

[10]

Kim, J. Y., Lee, J. H. & Grossman, J. C. Thermal transport in functionalized graphene Acsnano 6, 9050–9057 (2012).

[11]

Holland, M. G. Analysis of lattice thermal conductivity. Phys. Rev. 132, 2461 (1963). 10.1103/physrev.132.2461

[12]

Cahill, D., Watson, S. & Pohl, R. O. Lower limit to the thermal conductivity of disordered crystals. Phys. Rev. B 46, 6131 (1992). 10.1103/physrevb.46.6131

[13]

Trushin, M. & Schliemann, J. Minimum Electrical and Thermal Conductivity of Graphene: A Quasiclassical Approach. Phys. Rev. Lett. 99, 216602 (2007). 10.1103/physrevlett.99.216602

[14]

Kittel, C. Interpretation of the thermal conductivity of glasses. Phys. Rev. 75, 972 (1949). 10.1103/physrev.75.972

[15]

Zhang, H., Fonseca, A. F. & Cho, K. Tailoring Thermal Transport Property of Graphene through Oxygen Functionalization. J Phys. Chem. C 118, 1436–1442 (2014). 10.1021/jp4096369

[16]

Lin, S. & Buehler, M. J. Thermal Transport in Monolayer Graphene Oxide: Atomistic Insights into Phonon Engineering through Surface Chemistry. Carbon 77, 351–359 (2014). 10.1016/j.carbon.2014.05.038

[17]

Zhou, S. & Bongiorno, A. Origin of the chemical and kinetic stability of graphene oxide. Sci. Rep. 3, 2484 (2013). 10.1038/srep02484

[18]

Li, Z. et al. How graphene is cut upon oxidation? J. Am. Chem. Soc. 131, 6320–6321 (2009). 10.1021/ja8094729

[19]

Structural evolution during the reduction of chemically derived graphene oxide

Akbar Bagri, Cecilia Mattevi, Muge Acik et al.

Nature Chemistry 2010 10.1038/nchem.686

[20]

Mao, S., Pu, H. & Chen, J. Graphene oxide and its reduction: modeling and experimental progress. RSC Adv. 2, 2643–2662 (2012). 10.1039/c2ra00663d

[21]

Pan, D., Zhang, J., Li, Z. & Wu, M. Hydrothermal Route for Cutting Graphene Sheets into Blue-Luminescent Graphene Quantum Dots. Adv. Mater. 22, 734–738 (2010). 10.1002/adma.200902825

[22]

Lerf, A., He, H. Y., Forster, M. & Klinowski, J. Structure of graphite oxide revisited. J Phys. Chem. B 102, 4477–4482 (1998). 10.1021/jp9731821

[23]

Onn, D., Witek, A., Qiu, Y., Anthony, T. & Banholzer, W. Some aspects of the thermal conductivity of isotopically enriched diamond single crystals. Phys. Rev. Lett. 68, 2806–2809 (1992). 10.1103/physrevlett.68.2806

[24]

Zandiatashbar, A. et al. Effect of defects on the intrinsic strength and stiffness of graphene. Nat. Commun. 5, 3186 (2014). 10.1038/ncomms4186

[25]

Thermal Transport in Suspended and Supported Monolayer Graphene Grown by Chemical Vapor Deposition

Weiwei Cai, Arden L. Moore, Yushan Zhu et al.

Nano Letters 2010 10.1021/nl9041966

[26]

Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils

Xuesong Li, Weiwei Cai, Jinho An et al.

Science 2009 10.1126/science.1171245

[27]

Ferrari, A. C. & Basko, D. M. Raman spectroscopy as a versatile tool for studying the properties of graphene. Nat. Nanotech. 8, 235–246 (2013). 10.1038/nnano.2013.46

[28]

Chen, J. et al. Defect Scattering in Graphene. Phys. Rev. Lett. 102, 236805 (2009). 10.1103/physrevlett.102.236805

[29]

Eckmann, A. et al. Raman study on defective graphene: Effect of the excitation energy, type and amount of defects. Phys. Rev. B 88, 035426 (2013). 10.1103/physrevb.88.035426

[30]

Lucchese, M. M. et al. Quantifying ion-induced defects and Raman relaxation length in graphene. Carbon 48, 1592–1597 (2010). 10.1016/j.carbon.2009.12.057

[31]

Quantifying Defects in Graphene via Raman Spectroscopy at Different Excitation Energies

L. G. Cançado, A. Jorio, E. H. Martins Ferreira et al.

Nano Letters 2011 10.1021/nl201432g

[32]

Calizo, I. et al. Variable temperature Raman microscopy as a nanometrology tool for graphene layers and graphene-based devices. Appl. Phys. Lett. 91, 071913 (2007). 10.1063/1.2771379

[33]

Temperature Dependence of the Raman Spectra of Graphene and Graphene Multilayers

I. Calizo, A. A. Balandin, W. Bao et al.

Nano Letters 2007 10.1021/nl071033g

[34]

Determination of the Local Chemical Structure of Graphene Oxide and Reduced Graphene Oxide

Kris Erickson, Rolf Erni, Zonghoon Lee et al.

Advanced Materials 2010 10.1002/adma.201000732

[35]

Two-Dimensional Phonon Transport in Supported Graphene

Jae Hun Seol, Insun Jo, Arden L. Moore et al.

Science 2010 10.1126/science.1184014

[36]

Influence of Polymeric Residue on the Thermal Conductivity of Suspended Bilayer Graphene

Michael Thompson Pettes, Insun Jo, Zhen Yao et al.

Nano Letters 2011 10.1021/nl104156y

[37]

Wang, J. et al. Suppressing thermal conductivity of suspended tri-layer graphene by gold deposition. Adv. Mater. 25, 6884–6888 (2013). 10.1002/adma.201303362

[38]

Lee, J. U. et al. Thermal conductivity of suspended pristine graphene measured by Raman spectroscopy. Phys. Rev. B 83, 081419 (2011). 10.1103/physrevb.83.081419

[39]

Eckmann, A. et al. Probing the nature of defects in graphene by Raman spectroscopy. Nano Lett. 12, 3925–3930 (2012). 10.1021/nl300901a

[40]

Chen, J. et al. Self healing of defected graphene. Appl. Phys. Lett. 102, 103107 (2013). 10.1063/1.4795292

[41]

Banhart, F., Kotakoski, J. & Krasheninnikov, A. V. Structural Defects in Graphene. Acsnano 5, 26–41 (2011).

[42]

Chang, C. W., Okawa, D., Majumdar, A. & Zettl, A. Solid-state thermal rectifier. Science 314, 1121–1124 (2006). 10.1126/science.1132898

[43]

Tian, H. et al. A novel solid-state thermal rectifier based on reduced graphene oxide. Sci. Rep. 2, 523 (2012). 10.1038/srep00523

[44]

Hu, M., Goicochea, J. V., Michel, B. & Poulikakos, D. Thermal rectification at water/functionalized silica interfaces. Appl. Phys. Lett. 95, 151903 (2009). 10.1063/1.3247882

[45]

Hu, J., Ruan, X. & Chen, Y. P. Thermal conductivity and thermal rectification in graphene nanoribbons: a molecular dynamics study. Nano Lett. 9, 2730–2735 (2009). 10.1021/nl901231s

[46]

Wang, Y. et al. Phonon Lateral Confinement Enables Thermal Rectification in Asymmetric Single-Material Nanostructures. Nano lett. 14, 592–596 (2014). 10.1021/nl403773f

[47]

Wang, Y., Chen, S. & Ruan, X. Tunable thermal rectification in graphene nanoribbons through defect engineering: A molecular dynamics study. Appl. Phys. Lett. 100, 163101 (2012). 10.1063/1.3703756

[48]

Rajabpour, A., Allaei, S. V. & Kowsary, F. Interface thermal resistance and thermal rectification in hybrid graphene-graphane nanoribbons: a nonequilibrium molecular dynamics study. Appl. Phys. Lett. 99, 051917 (2011). 10.1063/1.3622480

[49]

Chien, S. K. & Yang, Y. T. Influence of hydrogen functionalization on thermal conductivity of graphene: Nonequilibrium molecular dynamics simulations. Appl. Phys. Lett. 98, 033107 (2011). 10.1063/1.3543622

[50]

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steve Plimpton

Journal of Computational Physics 1995 10.1006/jcph.1995.1039

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Published: Jul 01, 2015
Vol/Issue: 5(1)
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Authors

Jiangsu Key Laboratory for Design and Manufacturing of Precision Medicine Equipment, School of Mechanical Engineering, Southeast University, Nanjing, 211189, China

Department of Engineering, University of Durham, Durham, U.K.

Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371, Singapore

Cite This Article

Weiwei Zhao, Yanlei Wang, Zhangting Wu, et al. (2015). Defect-Engineered Heat Transport in Graphene: A Route to High Efficient Thermal Rectification. Scientific Reports, 5(1). https://doi.org/10.1038/srep11962

Defect-Engineered Heat Transport in Graphene: A Route to High Efficient Thermal Rectification

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