Tuning the atomic structures and electronic properties of two-dimensional C60/ZnO materials via external impacts

Lanli Chen,Hongduo Hu,Aiping Wang,Zhihua Xiong,Yuanyuan Cui,Yanfeng Gao

Applied Surface Science（2023）

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摘要

•C60/ZnO monolayer at the equilibrium state exhibits a type-II band alignment.•Under external impact, C60/ZnO monolayer undergoes the transition from semiconducting behavior to metallic characteristics.•Large electric field and large compressive strain can trigger a semiconductor–metal transition.•External impacts can cause the evolution of the band alignment to transfer from type-II to type-I.

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关键词

Two-dimensional ZnO materials,Electric field,Biaxial strain,Layer thickness,First-principles calculations

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