Interfacial chemical bonding between carbon nanotube and aluminum substrate modulated by alloying elements

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Interfacial chemical bonding between carbon nanotube and aluminum substrate modulated by alloying elements

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作者：Bingcheng Fang^a ; Michael Springborg^a ; ^c ; Naiqin Zhao^a ; ^b ; Chunsheng Shi^a ; Chunnian He^a ; Jiajun Li^a ; ^{jjli@tju.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Enzuo Liu^a ; ^b ; ^{ezliu@tju.edu.cn" class="auth_mail" title="E-mail the corresponding author}
关键词：Al(111) surface ; Alloying elements ; Interfacial bonding ; Density functional calculations ; COHP bonding analysis
刊名：Diamond & Related Materials
出版年：2015
出版时间：October 2015
年：2015
卷：59
期：Complete
页码：1-6
全文大小：1991 K

文摘

•: The effects of alloying elements on the interface between CNT and Al are revealed.
•: The chemical bonding is detected between CNT and Al substrate doped with Sc and Ti.
•: Bonding character is not fully reflected by the interfacial binding energy (E_b).
•: Interaction potential energy and restructuring energy competitively affect the E_b.

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