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Strongly anisotropic in-plane thermal transport in single-layer black phosphorene.

ABSTRACT: Using first principles calculations, we predict the thermal conductivity of the two-dimensional materials black phosphorene and blue phosphorene. Black phosphorene has an unprecedented thermal conductivity anisotropy ratio of three, with predicted values of 110?W/m-K and 36?W/m-K along its armchair and zigzag directions at a temperature of 300?K. For blue phosphorene, which is isotropic with a zigzag structure, the predicted value is 78?W/m-K. The two allotropes show strikingly different thermal conductivity accumulation, with phonons of mean free paths between 10?nm and 1??m dominating in black phosphorene, while a much narrower band of mean free paths (50-200?nm) dominate in blue phosphorene. Black phosphorene shows intriguing potential for strain-tuning of its thermal conductivity tensor.

SUBMITTER: Jain A

PROVIDER: S-EPMC4330521 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature

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Strongly anisotropic in-plane thermal transport in single-layer black phosphorene.

Jain Ankit A McGaughey Alan J H AJ

Scientific reports 20150217

Using first principles calculations, we predict the thermal conductivity of the two-dimensional materials black phosphorene and blue phosphorene. Black phosphorene has an unprecedented thermal conductivity anisotropy ratio of three, with predicted values of 110 W/m-K and 36 W/m-K along its armchair and zigzag directions at a temperature of 300 K. For blue phosphorene, which is isotropic with a zigzag structure, the predicted value is 78 W/m-K. The two allotropes show strikingly different thermal ...[more]

PMID: 25686917

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