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The transport properties of the Phosphorus and Chlorine doped single layer MoS2 p-n junctions: A first-principles study
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文摘

The p–n junctions exhibit obvious diode-like behavior under positive bias.

When the bias ranges from 0.2 V to 1.3 V, the p–n junctions show good rectification performance.

The current is related to the coupling of energy bands for both electrodes.

High rectification ratio is originated from the delocalization effect of the frontier orbits.

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