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In order to solve the current energy and environmental problems, we designed GaTe/PtS2 van der Waals heterojunction with excellent light absorption and solar-to-hydrogen efficiency, which is an excellent photocatalytic heterojunction.

The low-dimensional structure and excellent optical properties of two-dimensional (2D) materials have made them a hot theme for research in materials science. In this paper, the geometrical properties, electrical properties,...

In this paper, the geometric structures and electron-optical properties of AlAs/GaS heterojunctions and Se-doped AlAs/GaS heterojunctions are calculated based on first-principles of density functional theory (DFT). At the same time,...