Search: onr:"swepub:oai:research.chalmers.se:ce759f2f-843f-4569-b21e-e55f713dd53e" >
Tuning the Through-...
Tuning the Through-Plane Lattice Thermal Conductivity in van der Waals Structures through Rotational (Dis)ordering
-
- Eriksson, Fredrik, 1992 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
-
- Fransson, Erik, 1990 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
-
- Linderälv, Christopher, 1986 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
-
show more...
-
- Fan, Zheyong (author)
- Bohai University
-
- Erhart, Paul, 1978 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
-
show less...
-
(creator_code:org_t)
- 2023
- 2023
- English.
-
In: ACS Nano. - 1936-086X .- 1936-0851. ; 17:24, s. 25565-25574
- Related links:
-
https://research.cha... (primary) (free)
-
show more...
-
https://research.cha...
-
https://doi.org/10.1...
-
show less...
Abstract
Subject headings
Close
- It has recently been demonstrated that MoS2 with irregular interlayer rotations can achieve an extreme anisotropy in the lattice thermal conductivity (LTC), which is, for example, of interest for applications in waste heat management in integrated circuits. Here, we show by atomic-scale simulations based on machine-learned potentials that this principle extends to other two-dimensional materials, including C and BN. In all three materials, introducing rotational disorder drives the through-plane LTC to the glass limit, while the in-plane LTC remains almost unchanged compared to those of the ideal bulk materials. We demonstrate that the ultralow through-plane LTC is connected to the collapse of their transverse acoustic modes in the through-plane direction. Furthermore, we find that the twist angle in periodic moiré structures representing rotational order provides an efficient means for tuning the through-plane LTC that operates for all chemistries considered here. The minimal through-plane LTC is obtained for angles between 1 and 4° depending on the material, with the biggest effect in MoS2. The angular dependence is correlated with the degree of stacking disorder in the materials, which in turn is connected to the slip surface. This provides a simple descriptor for predicting the optimal conditions at which the LTC is expected to become minimal.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- Molecular dynamics
- Atomic-scale modeling
- Thermal conductivity
- van der Waals materials
- Machine-learning potentials
- Moire structures
Publication and Content Type
- art (subject category)
- ref (subject category)
Find in a library
-
ACS Nano
(Search for host publication in LIBRIS)
To the university's database