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Updated: Jul 5, 2025

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
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Published on: November 28, 2017

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在MoS2和WS2上的S空缺扩散的线性缩放关系的比较研究

Po-Yuan Wang1, Chun-Chi Yeh1,2, Ming-Jia Chiu1

  • 1Department of Chemistry, National Sun Yat-sen University, Kaohsiung 80424, Taiwan. ccchiu@mail.nsysu.edu.tw.

Physical chemistry chemical physics : PCCP
|January 23, 2024
PubMed
概括

本研究使用密度函数理论 (DFT) 和动力蒙特卡洛 (kMC) 模拟来比较二硫化物 (MoS2) 和二硫化物 (WS2) 中的硫空位扩散. 线性缩放关系可以降低计算成本,但由于特定材料的差异,需要仔细应用.

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