Abnormal diffusion behaviors of Cu atoms in van der Waals layered material MoS 2

We investigated the diffusion properties of metal atoms in van der Waals layered materials using first-principles calculations combined with group theory analysis. We found that there is an abnormal diffusion behavior of Cu in MoS 2 , which originated from the competition of the electronic and strai...

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Veröffentlicht in:Journal of materials chemistry. C, Materials for optical and electronic devices Materials for optical and electronic devices, 2019-05, Vol.7 (20), p.6052-6058
Hauptverfasser: Zhang, Cai-Xin, Li, Qianze, Tang, Li-Ming, Yang, Kaike, Xiao, Jin, Chen, Ke-Qiu, Deng, Hui-Xiong
Format: Artikel
Sprache:eng
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