Engineering Thermal Transport across Layered Graphene–MoS2 Superlattices

Sood, Aditya; Sievers, Charles; Shin, Yong Cheol; Chen, Victoria; Chen, Shunda; Smithe, Kirby H.; Chatterjee, Sukti; Donadio, Davide; Goodson, Kenneth E.; Pop, Eric

doi:10.1021/acsnano.1c06299

Title: Engineering Thermal Transport across Layered Graphene–MoS₂ Superlattices

Journal Article · Tue Nov 23 00:00:00 EST 2021 · ACS Nano

DOI:https://doi.org/10.1021/acsnano.1c06299· OSTI ID:1873404

^[1]; Sievers, Charles ^[2]; Shin, Yong Cheol ^[3]; Chen, Victoria ^[3]; Chen, Shunda ^[2]; Smithe, Kirby H. ^[3]; Chatterjee, Sukti ^[4];

^[2]; Goodson, Kenneth E. ^[3];

^[3]

Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Univ. of California, Davis, CA (United States)
Stanford Univ., CA (United States)
Applied Materials, Inc., Santa Clara, CA (United States)

Layering two-dimensional van der Waals materials provides a high degree of control over atomic placement, which could enable tailoring of vibrational spectra and heat flow at the sub-nanometer scale. In this work, using spatially resolved ultrafast thermoreflectance and spectroscopy, we uncover the design rules governing cross-plane heat transport in superlattices assembled from monolayers of graphene (G) and MoS₂ (M). Using a combinatorial experimental approach, we probe nine different stacking sequences, G, GG, MG, GGG, GMG, GGMG, GMGG, GMMG, and GMGMG, and identify the effects of vibrational mismatch, interlayer adhesion, and junction asymmetry on thermal transport. Pure G sequences display evidence of quasi-ballistic transport, whereas adding even a single M layer strongly disrupts heat conduction. The experimental data are described well by molecular dynamics simulations, which include thermal expansion, accounting for the effect of finite temperature on the interlayer spacing. The simulations show that an increase of ~2.4% in the layer separation of GMGMG, relative to its value at 300 K, can lead to a doubling of the thermal resistance. Using these design rules, we experimentally demonstrate a five-layer GMGMG superlattice “thermal metamaterial” with an ultralow effective cross-plane thermal conductivity comparable to that of air.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); US Air Force Office of Scientific Research (AFOSR)

Grant/Contract Number:: AC02-76SF00515; ECCS-2026822; FA9550-14-1-0251; 1542883; SC0012704

OSTI ID:: 1873404

Journal Information:: ACS Nano, Vol. 15, Issue 12; ISSN 1936-0851

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (49)

Thermal Diode: Rectification of Heat Flux Li, Baowen; Wang, Lei; Casati, Giulio Physical Review Letters, Vol. 93, Issue 18 https://doi.org/10.1103/PhysRevLett.93.184301	journal	October 2004
Manipulating Thermal Conductance at Metal–Graphene Contacts via Chemical Functionalization Hopkins, Patrick E.; Baraket, Mira; Barnat, Edward V. Nano Letters, Vol. 12, Issue 2 https://doi.org/10.1021/nl203060j	journal	January 2012
Ultralow Thermal Conductivity in Disordered, Layered WSe₂ Crystals Chiritescu, C.; Cahill, D. G.; Nguyen, N. Science, Vol. 315, Issue 5810, p. 351-353 https://doi.org/10.1126/science.1136494	journal	January 2007
Thermal conductivity imaging at micrometre-scale resolution for combinatorial studies of materials Huxtable, Scott; Cahill, David G.; Fauconnier, Vincent Nature Materials, Vol. 3, Issue 5 https://doi.org/10.1038/nmat1114	journal	April 2004
Reducing graphene device variability with yttrium sacrificial layers Wang, Ning C.; Carrion, Enrique A.; Tung, Maryann C. Applied Physics Letters, Vol. 110, Issue 22 https://doi.org/10.1063/1.4984090	journal	May 2017
Strongly tunable anisotropic thermal transport in MoS ₂ by strain and lithium intercalation: first-principles calculations Chen, Shunda; Sood, Aditya; Pop, Eric 2D Materials, Vol. 6, Issue 2 https://doi.org/10.1088/2053-1583/ab0715	journal	March 2019
Visualizing Energy Transfer at Buried Interfaces in Layered Materials Using Picosecond X‐Rays Nyby, Clara; Sood, Aditya; Zalden, Peter Advanced Functional Materials, Vol. 30, Issue 34 https://doi.org/10.1002/adfm.202002282	journal	June 2020
Cross-plane enhanced thermoelectricity and phonon suppression in graphene/MoS ₂ van der Waals heterostructures Sadeghi, Hatef; Sangtarash, Sara; Lambert, Colin J. 2D Materials, Vol. 4, Issue 1 https://doi.org/10.1088/2053-1583/4/1/015012	journal	November 2016
Phonon renormalization in doped bilayer graphene Das, A.; Chakraborty, B.; Piscanec, S. Physical Review B, Vol. 79, Issue 15 https://doi.org/10.1103/PhysRevB.79.155417	journal	April 2009
In-plane and cross-plane thermal conductivities of molybdenum disulfide Ding, Zhiwei; Jiang, Jin-Wu; Pei, Qing-Xiang Nanotechnology, Vol. 26, Issue 6 https://doi.org/10.1088/0957-4484/26/6/065703	journal	January 2015
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Lattice Constants of Graphite at Low Temperatures Baskin, Y.; Meyer, L. Physical Review, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRev.100.544	journal	October 1955
An electrochemical thermal transistor Sood, Aditya; Xiong, Feng; Chen, Shunda Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06760-7	journal	October 2018
Atomically Thin ${MoS}_{2}$ A New Direct-Gap Semiconductor Mak, Kin Fai; Lee, Changgu; Hone, James Physical Review Letters, Vol. 105, Issue 13, Article No.136805 https://doi.org/10.1103/PhysRevLett.105.136805	journal	September 2010
Mechanical properties of MoS ₂ /graphene heterostructures Jiang, Jin-Wu; Park, Harold S. Applied Physics Letters, Vol. 105, Issue 3 https://doi.org/10.1063/1.4891342	journal	July 2014
Ultrahigh thermal isolation across heterogeneously layered two-dimensional materials Vaziri, Sam; Yalon, Eilam; Muñoz Rojo, Miguel Science Advances, Vol. 5, Issue 8 https://doi.org/10.1126/sciadv.aax1325	journal	August 2019
Heat Conduction across Monolayer and Few-Layer Graphenes Koh, Yee Kan; Bae, Myung-Ho; Cahill, David G. Nano Letters, Vol. 10, Issue 11, p. 4363-4368 https://doi.org/10.1021/nl101790k	journal	November 2010
High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation Nath, Pinku; Plata, Jose J.; Usanmaz, Demet Computational Materials Science, Vol. 125 https://doi.org/10.1016/j.commatsci.2016.07.043	journal	December 2016
Evolution of interlayer coupling in twisted molybdenum disulfide bilayers Liu, Kaihui; Zhang, Liming; Cao, Ting Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5966	journal	September 2014
Registry-dependent interlayer potential for graphitic systems Kolmogorov, Aleksey N.; Crespi, Vincent H. Physical Review B, Vol. 71, Issue 23 https://doi.org/10.1103/PhysRevB.71.235415	journal	June 2005
Enhancing the interlayer adhesive force in twisted multilayer MoS ₂ by thermal annealing treatment Jin, Ke; Liu, Dameng; Tian, Yu Nanotechnology, Vol. 26, Issue 40 https://doi.org/10.1088/0957-4484/26/40/405708	journal	September 2015
Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene Lindsay, L.; Broido, D. A. Physical Review B, Vol. 81, Issue 20 https://doi.org/10.1103/PhysRevB.81.205441	journal	May 2010
Coherent control of thermal phonon transport in van der Waals superlattices Guo, Ruiqiang; Jho, Young-Dahl; Minnich, Austin J. Nanoscale, Vol. 10, Issue 30 https://doi.org/10.1039/C8NR02150C	journal	January 2018
Tuning Thermal Transport Through Atomically Thin Ti ₃ C ₂ T _z MXene by Current Annealing in Vacuum Hemmat, Zahra; Yasaei, Poya; Schultz, Jeremy F. Advanced Functional Materials, Vol. 29, Issue 19 https://doi.org/10.1002/adfm.201805693	journal	March 2019
Thermal boundary conductance of two-dimensional MoS ₂ interfaces Suryavanshi, Saurabh V.; Gabourie, Alexander J.; Barati Farimani, Amir Journal of Applied Physics, Vol. 126, Issue 5 https://doi.org/10.1063/1.5092287	journal	August 2019
Thermal Conductance of the 2D MoS2/h-BN and graphene/h-BN Interfaces Liu, Yi; Ong, Zhun-Yong; Wu, Jing Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep43886	journal	March 2017
Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids Li, Zhen; Xiong, Shiyun; Sievers, Charles The Journal of Chemical Physics, Vol. 151, Issue 23 https://doi.org/10.1063/1.5132543	journal	December 2019
Aluminum–Carbon Interaction at the Aluminum–Graphene and Aluminum–Graphite Interfaces Reshetniak, V. V.; Aborkin, A. V. Journal of Experimental and Theoretical Physics, Vol. 130, Issue 2 https://doi.org/10.1134/S1063776120010173	journal	February 2020
Direct Visualization of Thermal Conductivity Suppression Due to Enhanced Phonon Scattering Near Individual Grain Boundaries Sood, Aditya; Cheaito, Ramez; Bai, Tingyu Nano Letters, Vol. 18, Issue 6 https://doi.org/10.1021/acs.nanolett.8b00534	journal	April 2018
Thermal transport across graphene and single layer hexagonal boron nitride Zhang, Jingchao; Hong, Yang; Yue, Yanan Journal of Applied Physics, Vol. 117, Issue 13 https://doi.org/10.1063/1.4916985	journal	April 2015
Tunable MoS ₂ bandgap in MoS ₂ -graphene heterostructures Ebnonnasir, Abbas; Narayanan, Badri; Kodambaka, Suneel Applied Physics Letters, Vol. 105, Issue 3 https://doi.org/10.1063/1.4891430	journal	July 2014
Anisotropic thermal conductivity tensor of β-Y2Si2O7 for orientational control of heat flow on micrometer scales Olson, David H.; Avincola, Valentina Angelici; Parker, Cory G. Acta Materialia, Vol. 189 https://doi.org/10.1016/j.actamat.2020.02.040	journal	May 2020
Van der Waals heterostructures Geim, A. K.; Grigorieva, I. V. Nature, Vol. 499, Issue 7459, p. 419-425 https://doi.org/10.1038/nature12385	journal	July 2013
Interfacial Thermal Transport in Monolayer MoS ₂ - and Graphene-Based Devices Yasaei, Poya; Foss, Cameron J.; Karis, Klas Advanced Materials Interfaces, Vol. 4, Issue 17 https://doi.org/10.1002/admi.201700334	journal	July 2017
Electrochemically tunable thermal conductivity of lithium cobalt oxide Cho, Jiung; Losego, Mark D.; Zhang, Hui Gang Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5035	journal	June 2014
Ultimate impedance of coherent heat conduction in van der Waals graphene-MoS2 heterostructures Hu, S.; Ju, S.; Shao, C. Materials Today Physics, Vol. 16 https://doi.org/10.1016/j.mtphys.2020.100324	journal	January 2021
Intrinsic electrical transport and performance projections of synthetic monolayer MoS 2 devices Smithe, Kirby K. H.; English, Chris D.; Suryavanshi, Saurabh V. 2D Materials, Vol. 4, Issue 1 https://doi.org/10.1088/2053-1583/4/1/011009	journal	November 2016
Energy Dissipation in Monolayer MoS ₂ Electronics Yalon, Eilam; McClellan, Connor J.; Smithe, Kirby K. H. Nano Letters, Vol. 17, Issue 6 https://doi.org/10.1021/acs.nanolett.7b00252	journal	May 2017
Surface-Energy-Assisted Perfect Transfer of Centimeter-Scale Monolayer and Few-Layer MoS ₂ Films onto Arbitrary Substrates Gurarslan, Alper; Yu, Yifei; Su, Liqin ACS Nano, Vol. 8, Issue 11 https://doi.org/10.1021/nn5057673	journal	November 2014
Tuning thermal conductivity in molybdenum disulfide by electrochemical intercalation Zhu, Gaohua; Liu, Jun; Zheng, Qiye Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13211	journal	October 2016
Interatomic potentials for monoatomic metals from experimental data and ab initio calculations Mishin, Y.; Farkas, D.; Mehl, M. J. Physical Review B, Vol. 59, Issue 5 https://doi.org/10.1103/PhysRevB.59.3393	journal	February 1999
Quasi-Ballistic Thermal Transport Across MoS ₂ Thin Films Sood, Aditya; Xiong, Feng; Chen, Shunda Nano Letters, Vol. 19, Issue 4 https://doi.org/10.1021/acs.nanolett.8b05174	journal	February 2019
Parametrization of a reactive many-body potential for Mo–S systems Liang, Tao; Phillpot, Simon R.; Sinnott, Susan B. Physical Review B, Vol. 79, Issue 24 https://doi.org/10.1103/PhysRevB.79.245110	journal	June 2009
Thermal Transport in 2D Semiconductors—Considerations for Device Applications Zhao, Yunshan; Cai, Yongqing; Zhang, Lifa Advanced Functional Materials, Vol. 30, Issue 8 https://doi.org/10.1002/adfm.201903929	journal	August 2019
Thermal conductance imaging of graphene contacts Yang, Jia; Ziade, Elbara; Maragliano, Carlo Journal of Applied Physics, Vol. 116, Issue 2 https://doi.org/10.1063/1.4889928	journal	July 2014
Interfacial thermal conductance in graphene/MoS2 heterostructures Ding, Zhiwei; Pei, Qing-Xiang; Jiang, Jin-Wu Carbon, Vol. 96 https://doi.org/10.1016/j.carbon.2015.10.046	journal	January 2016
Viscosity and Thermal Conductivity of Dry Air in the Gaseous Phase Kadoya, K.; Matsunaga, N.; Nagashima, A. Journal of Physical and Chemical Reference Data, Vol. 14, Issue 4 https://doi.org/10.1063/1.555744	journal	October 1985
Thermal conductivity of individual silicon nanowires Li, Deyu; Wu, Yiying; Kim, Philip Applied Physics Letters, Vol. 83, Issue 14, p. 2934-2936 https://doi.org/10.1063/1.1616981	journal	October 2003
Spatial Mapping of Thermal Boundary Conductance at Metal–Molybdenum Diselenide Interfaces Brown, David B.; Shen, Wenqing; Li, Xufan ACS Applied Materials & Interfaces, Vol. 11, Issue 15 https://doi.org/10.1021/acsami.8b22702	journal	March 2019

Similar Records

Quasi-Ballistic Thermal Transport Across MoS₂ Thin Films

Journal Article · Wed Feb 27 00:00:00 EST 2019 · Nano Letters · OSTI ID:1873404

Sood, Aditya; Xiong, Feng; Chen, Shunda; +7 more

Thermal conductivity of the n = –5 and 10 members of the (SrTiO₃)_n SrO Ruddlesden–Popper superlattices

Journal Article · Mon Mar 01 00:00:00 EST 2021 · Applied Physics Letters · OSTI ID:1873404

Dawley, Natalie M.; Pek, Ella K.; Lee, Che-Hui; +7 more

Thermal Conductivity of HfTe ₅ : A Critical Revisit

Journal Article · Wed Nov 13 00:00:00 EST 2019 · Advanced Functional Materials · OSTI ID:1873404

Feng, Tianli; Wu, Xuewang; Yang, Xiaolong; +5 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
2D materials
van der Waals
heterostructure
phonon
thermal boundary resistance
time-domain thermoreflectance

Title: Engineering Thermal Transport across Layered Graphene–MoS2 Superlattices

Citation Formats

References (49)

Similar Records

Related Subjects

Title: Engineering Thermal Transport across Layered Graphene–MoS₂ Superlattices