Effect of Defects and Oxidation on CNT–Copper Interface: First-Principles Calculation and Experiment

In this paper, the effects of carbon nanotube defects and a copper surface oxide layer on a carbon nanotube–copper interface were studied via first-principles. A defect-free CNT-Cu interface, Stone–Wales defect CNT-Cu interface, single-hole and double-hole defect CNT-Cu interface, and Cu2O-Cu interf...

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Veröffentlicht in:	Materials 2023-11, Vol.16 (21), p.6845
Hauptverfasser:	Ju, Boyu, Zhu, Yubo, Yang, Wenshu, Sun, Jinpeng, Li, Haozhe, Yuan, Feng, Xiu, Ziyang
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonds Carbon Carbon nanotubes Charge density Chemical bonds Composite materials Copper Defects Electrical conductivity Electrical resistivity Energy First principles Hardness Heat conductivity Hole defects Hot pressing Mechanical properties Metal matrix composites Optimization Oxidation Plasma sintering Simulation Thermal properties
Online-Zugang:	Volltext
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