Phonon engineering in 2D transition metal dichalcogenides for heat management applications
Marianna Sledzinska a
a Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and Barcelona Institute of Science and Technology, UAB Campus, 08193 Bellaterra, Barcelona, Spain
Proceedings of MATSUS Spring 2026 Conference (MATSUSSpring26)
D4 Synthesis and Integration of 2D Materials for Electronics, Photonics, and Functional Devices
Barcelona, Spain, 2026 March 23rd - 27th
Organizers: Nikolas Antonatos and Filipa M. Oliveira
Oral, Marianna Sledzinska, presentation 478
Publication date: 15th December 2025

Two-dimensional transition metal dichalcogenides (TMDs) are promising for next-generation thermal management applications due to their atomically layered structures and high thermal anisotropy.

Theoretical studies suggest that both cross-plane and in-plane thermal transport in 2D materials are highly dependent on twist angle, as it modulates interlayer phonon coupling, thereby affecting phonon transmission and scattering. These effects are particularly pronounced at small twist angles (0–5°). However, precise fabrication of high-quality, twisted bilayers with small-angles remains challenging, and experimental validation of theoretical predictions is still limited.

Here, we discuss the synthesis strategies for high-quality, large area monolayers of TMDs, such as MoS2 and WS₂ via capping-assisted CVD method and fabrication techniques for obtaining clean, twisted bilayers. Thermal transport across the mono and bi-layers was studied using frequency-domain thermoreflectance, together with molecular dynamics (MD) simulations.  Our findings provide insights into how interlayer coupling influences phonon transport in twisted bilayers of homo- and hetero-stacking, particularly in the small-angle regime. This results are crucial for  phonon engineering strategies in 2D materials and the design of tunable thermal management systems for nanoscale devices.

 

ICN2 is supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S) and is funded by the CERCA Programme / Generalitat de Catalunya. We acknowledge the support from the projects 3D-Bricks (Horizon Europe, GA No. 101099125),  ELEMENTAL (GA No. PID2023-152783OB-I00) and PETITE (GA No. PCI2023-143399)

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