Thermal Properties and Phonon Dynamics of Graphene-Based Materials

Graphene exhibits exceptional thermal conductivity and unique phonon behaviour due to its two-dimensional hexagonal lattice. Heat transport in graphene is dominated by acoustic phonons, which can propagate ballistically over micrometre distances at room temperature, yielding conductivities in excess of 2000 W m⁻¹ K⁻¹. Optical phonons, while less influential in heat conduction, are essential for interpreting Raman spectra and probing lattice dynamics. Anharmonic interactions among phonons give rise to temperature-dependent shifts in vibrational frequencies and drive thermal expansion. Out-of-plane flexural modes introduce dynamic rippling and static wrinkling that soften in-plane stiffness and modulate thermal transport. Interfaces and heterostructures further tune phonon lifetimes and scattering rates, affecting interlayer thermal resistance. Understanding these mechanisms is vital for applications in thermal management, flexible electronics and composite materials, where precise control of heat flow and mechanical stability is required.

Research from Nature Portfolio

Recent studies have elucidated the interplay between out-of-plane fluctuations and in-plane stiffness in free-standing graphene, revealing that static wrinkling dominates the softening of elastic constants at temperatures below 400 K, with flexural phonons playing a secondary role. Molecular dynamics–based methods have been adapted to compute graphene’s full phonon dispersion under finite-temperature conditions, capturing anharmonic effects and non-bonding interactions, and reproducing the temperature coefficient of the Raman-active Γ-E₂g mode. Moreover, large-scale simulations of perforated graphene membranes have demonstrated that the onset of a crumpling transition can be controlled by the geometry and density of holes, offering a strategy to engineer thermal behaviour via modulation of flexural phonon populations.

Thermal Properties and Phonon Dynamics of Graphene-Based Materials publication trend

The graph below shows the total number of articles in thermal properties and phonon dynamics of graphene-based materials across all publications each year (not limited to Nature Index journals).

Technical terms

Phonon: A quantised vibrational mode in a crystal lattice responsible for carrying thermal energy.

Anharmonicity: Nonlinear phonon–phonon interactions that lead to temperature-dependent frequency shifts and thermal expansion.

Flexural phonons: Out-of-plane vibrational modes in two-dimensional materials that contribute to dynamic rippling and thermal fluctuations.

Crumpling transition: A change from a flat to a highly wrinkled conformation in thin sheets, affecting phonon spectra and mechanical properties.

Thermal expansion coefficient: A parameter quantifying how a material’s dimensions vary with temperature due to anharmonic lattice dynamics.

References

1. Defects induce phase transition from dynamic to static rippling in graphene. Proceedings of the National Academy of Sciences of the United States of America (2025).
2. Phonon anharmonicity and thermal expansion in two-dimensional graphene/MoS2 and graphene/WS2 heterostructures: DFT and Raman study. Acta Materialia (2025).
3. The effect of intrinsic crumpling on the mechanics of free-standing graphene. Nature Communications (2015).
4. Phonon properties of graphene derived from molecular dynamics simulations. Scientific Reports (2015).
5. Thermal crumpling of perforated two-dimensional sheets. Nature Communications (2017).