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Fig. 4 | Nanoscale Research Letters

Fig. 4

From: Monolayer Phosphorene–Carbon Nanotube Heterostructures for Photocatalysis: Analysis by Density Functional Theory

Fig. 4

Maps of the electron and hole density distributions for LUL (ac) and HOL (a*–c*) for the hybrid (a) CNT(5,0)/BP, (b) CNT(6,0)/BP, (c) CNT(9,0)/BP. The blue and yellow represent the electron and hole density distributions for LUL and HOL, respectively; the isovalue is 0.007 e/Å3. Herein, HOL and LUL are determined by the highest occupied and lowest unoccupied levels, respectively

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