Two-dimensional stable transition metal carbides (MnC and NbC) with prediction and novel functionalizations

In this paper, manganese carbide (MnC) and niobium carbide (NbC) are predicted as stable monolayer metallic materials, whose Young's moduli are 50.06 N m −1 and 44.07 N m −1 , respectively. The ab initio molecular dynamics (AIMD) results show that both MnC and NbC could hold their structure up...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2018-10, Vol.2 (39), p.25437-25445
Hauptverfasser: Zhang, Bingwen, Huang, Yina, Bao, Weicheng, Wang, Baolin, Meng, Qiangqiang, Fan, Lele, Zhang, Qinfang
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Sprache:eng
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