Ultralow lattice thermal conductivity and thermoelectric performance of twisted Graphene/Boron Nitride heterostructure through strain engineering

Enhanced thermoelectric performance of a wide-bandgap twisted heterostructure of graphene and boron nitride

“…49 The twisted Gr/BN heterostructure has a thermal conductivity of 5.88 Wm −1 K −1 at T = 300 K. This obtained value is higher than the previously reported theoretical value (0.095 Wm −1 K −1 ) due to its enlarged erroneous Grüneisen parameter of ∼4500. 23 There is a substantial decrease in the thermal conductivity of the twisted heterostructure in comparison with tblg and tBN. The results are analogous to those in the prior study on a BN/silicene heterostructure, wherein the BN layer governs thermal transport while the silicene layer dominates electronic transport due to its weak interlayer non-covalent interaction.…”

“…19–21 For instance, an experimental study on twisted graphene/h-BN heterostructures reported Hofstadter's butterfly and fractional quantum effects, suggesting their successful synthesis and the potential to study their physical properties. 22 A recent study 23 on a 21.8° twisted Gr/BN heterostructure reported an unusual thermal conductivity of 0.095 W m −1 K −1 at 300 K, and also its enlarged Grüneisen parameter (∼4500) does not allow the validation of these results. Moreover, the mechanisms of electron scattering were not taken into consideration, which can alter the electric properties.…”

Electronic Properties of Twisted hBN/NbSe2 Hetero-structure and Its Application as an Electrode in Lithium-Ion Battery: First-Principle Study

“…The in-plane rotation or twist between the vertically stacked 2D layers is an effective tool for carefully controlling the behavior of 2D heterostructures , . Due to the angle-dependent interlayer coupling, which can drastically alter the electronic band structure, twisted heterostructures are crucial, which produce emerging properties that are not present in the parent structures.…”

Unveiling the temperature-dependent thermoelectric properties of the undoped and Na-doped monolayer SnSe allotropes: a comparative study

“…Thermoelectric (TE) materials have attracted extensive attention due to their promising applications in energy harvesting from waste heat as well as in electronic refrigeration. Till now, a variety of TE materials including the traditional heavy-metalbased TE materials [1,2], transition metal dichalcogenides [3][4][5], group IV-VI compounds including tin selenide (SnSe) [6][7][8][9], phosphorene [10][11][12][13], boron nitride [14], and so on have been proposed. Among the currently known TE materials, SnSe is believed to be one of the most promising candidates due to its high TE performance [15][16][17][18][19].…”