Structure-mediated thermal transport of monolayer graphene allotropes nanoribbons

摘要: We report the study of thermal transport management monolayer graphene allotrope nanoribbons (size ∼20 × 4 nm2) by modulation their structures via molecular dynamics simulations. The conductivity graphyne (GY)-like geometries is observed to decrease monotonously with increasing number acetylenic linkages between adjacent hexagons. Strikingly, incorporating those GY or GY-like structures, performance can be effectively engineered. resulting hetero-junctions possess a sharp local temperature jump at interface, and show much lower effective due enhanced phonon–phonon scattering. More importantly, controlling percentage, type distribution pattern are found exhibit tunable properties (including conductivity, interfacial resistance rectification). This provides heuristic guideline manipulate 2D carbon networks, ideal for application in thermoelectric devices strongly suppressed conductivity.