Stretched three-dimensional white graphene with a tremendous lattice thermal conductivity increase rate.

Despite the increasing interest in the physical properties of the newly synthesized three-dimensional (3D) nano-architectured graphene, there are still few studies on the thermal transport properties of this family of materials. In the present work, heat transport of 3D h-BN and its mechanical response are systematically explored through first principles calculations. It is fascinating to find that the thermal conductivity of the 3D h-BN honeycomb structure could be significantly modulated by mechanical tension. Its lattice thermal conductivity perpendicular to the hole axis increases by 7.2 times at 6% critical strain, compared to only 0.67 times for that of the strained 3D graphene counterpart. The structure's thermal conductivity versus mechanical tension differs quantitatively and qualitatively from the monotonic downward trend of traditional bulk diamond or silicon under tension. This deviation from the classic behavior could be attributed to the modification of the phonon lifetimes, together with the competition between group velocities of low- and high-lying phonons under strain. Finally, the phonon vibrational modes contribution analysis indicates that the BN ribbon atoms contribute mainly at a lower frequency range. Our results provide important insights into potential employment of nano-architectured 3D white graphene for thermal management in relevant industrial applications.

Modulating thermal transport in a porous carbon honeycomb using cutting and deformation techniques.

During the past few years, there has been a flurry of investigations on the lattice thermal transport of three-dimensional (3D) graphene, however, few studies have detailed how to adjust this property effectively using the presently available engineering technologies. In this work, the thermal transport properties of a porous single layer carbon honeycomb (SL-dCHC-2) and its mechanical response are systematically studied. We show that the thermal conductivity of SL-dCHC-2 can be adjusted effectively by varying the tensile strain, and its value is enhanced by up to 11.3 times with 8% strain as compared to the unstrained case. This value is significantly larger than what was observed for other two-dimensional (2D) materials such as silicene (∼7 times larger). This outstanding behavior is explained by the phonon mode level, indicating that a profound increase of the thermal conductivity under tensile strain is attributed to the enhancement of the phonon lifetime. In addition, the trend for the root mean squared displacement, which is closely related to the phonon anharmonic effect, correlates with the non-monotonic response of the dimerized C-C bonds at the linkage of the structure. These investigations and obtained results provide important guidance to develop 3D carbon honeycombs for several different purposes, such as for use as molecular sieves and in water purification applications.