TY - JOUR
T1 - Experimental and Computational Investigation of Layer-Dependent Thermal Conductivities and Interfacial Thermal Conductance of One- To Three-Layer WSe2
AU - Easy, Elham
AU - Gao, Yuan
AU - Wang, Yingtao
AU - Yan, Dingkai
AU - Goushehgir, Seyed M.
AU - Yang, Eui Hyeok
AU - Xu, Baoxing
AU - Zhang, Xian
N1 - Publisher Copyright:
© 2021 American Chemical Society.
PY - 2021/3/24
Y1 - 2021/3/24
N2 - Two-dimensional materials such as graphene and transition metal dichalcogenides (TMDCs) have received extensive research interest and investigations in the past decade. In this research, we used a refined opto-thermal Raman technique to explore the thermal transport properties of one popular TMDC material WSe2, in the single-layer (1L), bilayer (2L), and trilayer (3L) forms. This measurement technique is direct without additional processing to the material, and the absorption coefficient of WSe2 is discovered during the measurement process to further increase this technique's precision. By comparing the sample's Raman spectroscopy spectra through two different laser spot sizes, we are able to obtain two parameters - lateral thermal conductivities of 1L-3L WSe2 and the interfacial thermal conductance between 1L-3L WSe2 and the substrate. We also implemented full-atom nonequilibrium molecular dynamics simulations (NEMD) to computationally investigate the thermal conductivities of 1L-3L WSe2 to provide comprehensive evidence and confirm the experimental results. The trend of the layer-dependent lateral thermal conductivities and interfacial thermal conductance of 1L-3L WSe2 is discovered. The room-temperature thermal conductivities for 1L-3L WSe2 are 37 ± 12, 24 ± 12, and 20 ± 6 W/(m·K), respectively. The suspended 1L WSe2 possesses a thermal conductivity of 49 ± 14 W/(m·K). Crucially, the interfacial thermal conductance values between 1L-3L WSe2 and the substrate are found to be 2.95 ± 0.46, 3.45 ± 0.50, and 3.46 ± 0.45 MW/(m2·K), respectively, with a flattened trend starting the 2L, a finding that provides the key information for thermal management and thermoelectric designs.
AB - Two-dimensional materials such as graphene and transition metal dichalcogenides (TMDCs) have received extensive research interest and investigations in the past decade. In this research, we used a refined opto-thermal Raman technique to explore the thermal transport properties of one popular TMDC material WSe2, in the single-layer (1L), bilayer (2L), and trilayer (3L) forms. This measurement technique is direct without additional processing to the material, and the absorption coefficient of WSe2 is discovered during the measurement process to further increase this technique's precision. By comparing the sample's Raman spectroscopy spectra through two different laser spot sizes, we are able to obtain two parameters - lateral thermal conductivities of 1L-3L WSe2 and the interfacial thermal conductance between 1L-3L WSe2 and the substrate. We also implemented full-atom nonequilibrium molecular dynamics simulations (NEMD) to computationally investigate the thermal conductivities of 1L-3L WSe2 to provide comprehensive evidence and confirm the experimental results. The trend of the layer-dependent lateral thermal conductivities and interfacial thermal conductance of 1L-3L WSe2 is discovered. The room-temperature thermal conductivities for 1L-3L WSe2 are 37 ± 12, 24 ± 12, and 20 ± 6 W/(m·K), respectively. The suspended 1L WSe2 possesses a thermal conductivity of 49 ± 14 W/(m·K). Crucially, the interfacial thermal conductance values between 1L-3L WSe2 and the substrate are found to be 2.95 ± 0.46, 3.45 ± 0.50, and 3.46 ± 0.45 MW/(m2·K), respectively, with a flattened trend starting the 2L, a finding that provides the key information for thermal management and thermoelectric designs.
KW - Raman spectroscopy
KW - interfacial thermal conductance
KW - layer-dependent trend
KW - thermal conductivity
KW - tungsten diselenide
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U2 - 10.1021/acsami.0c21045
DO - 10.1021/acsami.0c21045
M3 - Article
C2 - 33720683
AN - SCOPUS:85103606649
SN - 1944-8244
VL - 13
SP - 13063
EP - 13071
JO - ACS Applied Materials and Interfaces
JF - ACS Applied Materials and Interfaces
IS - 11
ER -