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The effect of surface orientation on band alignment and carrier transfer at WS2/CdS interface: insight from first-principles calculations

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posted on 2024-05-30, 11:56 authored by Kai Cheng, Peng Wu, Wenbo Hu, Lifan Wu, Xu Guo, San-Dong Guo, Yan Su
Atomic structures and electronic band structures of CdS(100) and CdS(110) surfaces, Total energy versus average vertical distance for WS2/CdS(100) and WS2/CdS(110) supercells.

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