DataVXACS Applied Materials & InterfacesPaper
journal article·2017-11-29

Ab Initio Study of Interfacial Structure Transformation of Amorphous Carbon Catalyzed by Ti, Cr, and W Transition Layers

Xiaowei Li, Lei Li, Dong Zhang, Aiying Wang

ACS Applied Materials & Interfaces· Volume 9· Issue 47
Publisher page
Source abstract

Abstract

Amorphous carbon (a-C) films composited with transition layers exhibit the desirable improvement of adhesion strength between films and substrate, but the further understanding on the interfacial structure transformation of a-C structure induced by transition layers is still lacked. In this paper, using ab initio calculations, we comparatively studied the interfacial structure between Ti, Cr, or W transition layers and a-C film from the atomic scale, and demonstrated that the addition of Ti, Cr, or W catalyzed the graphitic transformation of a-C structure at different levels, which provided the theoretical guidance for designing a multilayer nanocomposite film for renewed application.
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Research context

NanomaterialsCompositesCatalysis & surfaces

OpenAlex topics: Diamond and Carbon-based Materials Research · Graphene research and applications · Advanced materials and composites

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Key Laboratory of Marine Materials and Related Technologies, Key Laboratory of Marine Materials and Protective Technologies of Zhejiang Province, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, P.R. China

Computational Science Center, Korea Institute of Science and Technology, Seoul 136-791, Republic of Korea

Funding

Ministry of Science and Technology of the People's Republic of China · National Research Foundation of Korea · National Natural Science Foundation of China · Ministry of Science, ICT and Future Planning

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