Giant Thermal Switching via Phase Transition in MoTe <sub>2</sub>

Designing materials with tailor-made thermal properties is an important challenge in current condensed matter and nanoscience, particularly for the implications on efficient thermal management in electronics and for applications related to energy harvesting such as thermoelectricity. Even more interesting is the possibility to dynamically access different heat conduction states, as it potentially leads to the real-time control of heat flow. Here, we leverage phase-engineering in MoTe<sub>2</sub>, a 2D van der Waals transition metal dichalcogenide, showing that the thermal conductivity undergoes a giant increase (∼270% at room temperature) upon the phase transition between the common 2<i>H</i> and 1<i>T</i>' polymorphs. Our first-principles calculations trace back this very large change to the different effects that four-phonon processes have on the two crystal phases. Importantly, the 2<i>H</i> ↔ 1<i>T</i>' phase transition is ultrafast and reversible and can be triggered by external electric fields, light absorption, and THz pulses.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2026-01-19
DOI
https://doi.org/10.1021/acs.jpclett.5c03836
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
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article

Giant Thermal Switching via Phase Transition in MoTe 2

Riccardo Rurali, Nemo McIntosh, Zhuyao Chang, Zhao Liu
The Journal of Physical Chemistry Letters
2D Materials and Applications
article

Giant Thermal Switching via Phase Transition in MoTe 2

Riccardo Rurali, Nemo McIntosh, Zhuyao Chang, Zhao Liu
article en

Abstract

Designing materials with tailor-made thermal properties is an important challenge in current condensed matter and nanoscience, particularly for the implications on efficient thermal management in electronics and for applications related to energy harvesting such as thermoelectricity. Even more interesting is the possibility to dynamically access different heat conduction states, as it potentially leads to the real-time control of heat flow. Here, we leverage phase-engineering in MoTe<sub>2</sub>, a 2D van der Waals transition metal dichalcogenide, showing that the thermal conductivity undergoes a giant increase (∼270% at room temperature) upon the phase transition between the common 2<i>H</i> and 1<i>T</i>' polymorphs. Our first-principles calculations trace back this very large change to the different effects that four-phonon processes have on the two crystal phases. Importantly, the 2<i>H</i> ↔ 1<i>T</i>' phase transition is ultrafast and reversible and can be triggered by external electric fields, light absorption, and THz pulses.

The Journal of Physical Chemistry LettersVol. 17(4)
Institut de Ciència de Materials de Barcelona (ES), Hebei Normal University (CN)
Affordable and clean energy
Openalex Percentile: Top 84%
2D Materials and Applications
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